OpenMolDB

1,2,4,5-tetrathiane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.31	4	0	2.68				JN_AO_2	None		Not checked

SMILES: C1SSCSS1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2,4,5-tetrathiane]	-2.36			25.0	gas chromatography-mass spectrometry, scanning electron microscopy	Takeshi Furuta 2005

1,2,4-Trimethylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.19	0	0	2.61				nt0863	None		Not checked

SMILES: Cc1ccc(C)c(C)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2,4-Trimethylbenzene]	1.66			25.0		Kenneth A. Connors 1995

1,2,4-Trimethylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.19	0	0	2.61				nt1820	None		Not checked

SMILES: Cc1ccc(C)c(C)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,2,4-Trimethylbenzene]	2.94			25.0		Kenneth A. Connors 1995

1,2,4-Trimethylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.19	0	0	2.61				nt1999	None		Not checked

SMILES: Cc1ccc(C)c(C)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[1,2,4-Trimethylbenzene]	1.72			25.0		Kenneth A. Connors 1995

1,2,4-trimethyl-benzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.19	0	0	2.61				VR_C197	None		Not checked

SMILES: Cc1ccc(C)c(C)c1

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2,4-trimethyl-benzene]	1.41	0.85	25.0	GC (SHSGC)	É. Fenyvesi 2005
[b-Cyclodextrin](1).[1,2,4-trimethyl-benzene]	2.37	1.43	25.0	GC (SHSGC)	É. Fenyvesi 2005
[g-Cyclodextrin](1).[1,2,4-trimethyl-benzene]	0.93	0.59	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[1,2,4-trimethyl-benzene]	2.33	1.77	25.0	GC (SHSGC)	É. Fenyvesi 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[1,2,4-trimethyl-benzene]	2.33	1.15	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[1,2,4-trimethyl-benzene]	2.94	1.81	25.0	GC (SHSGC)	É. Fenyvesi 2005

1,2-Butanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
90.12	2	2	-0.25				nt0115	None		Not checked

SMILES: CCC(O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2-Butanediol]	1.11			25.0		Kenneth A. Connors 1995

1,2-Dihydroxybenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
110.11	2	2	1.10				nt1181	None		Not checked

SMILES: Oc1ccccc1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,2-Dihydroxybenzene]	2.04			25.0		Kenneth A. Connors 1995

1,2-Hexanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
118.17	2	2	0.53				nt0424	None		Not checked

SMILES: CCCCC(O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2-Hexanediol]	2.27			25.0		Kenneth A. Connors 1995

1,2-Hexanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
118.17	2	2	0.53				nt0425	None		Not checked

SMILES: CCCCC(O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

1,2-Pentanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
104.15	2	2	0.14				nt0742	None		Not checked

SMILES: CCCC(O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2-Pentanediol]	1.89			25.0		Kenneth A. Connors 1995

1,2-Propanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
76.09	2	2	-0.64				nt0797	None		Not checked

SMILES: CC(O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2-Propanediol]	0.48			25.0		Kenneth A. Connors 1995

1,2-Propylene glycol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
76.09	2	2	-0.64				nt1743	None		Not checked

SMILES: CC(O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,2-Propylene glycol]	0.28			25.0		Kenneth A. Connors 1995

1,2-bis(4-pyridyl)ethane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
184.24	2	0	2.26				SF_C1303	None		Not checked

SMILES: C(Cc1ccncc1)c2ccncc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,2-bis(4-pyridyl)ethane]	2.92	1.91	7.0	25.0	NMR spectroscopy	Dona1 H. Macartney 1993

1,2-butanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
90.12	2	2	-0.25				SF_C1614	None		Not checked

SMILES: CCC(O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2-butanediol]	1.11	-0.40	7.0	25.0	Calorimetry	Giuseppina Castronuovo 2002

1,2-butanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
90.12	2	2	-0.25				SF_C66	None		Not checked

SMILES: CCC(O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,2-butanediol]	0.56	-1.30	0.8	25.0	UV/VIS spectrometry	Jorge Pérez-Juste 2006