1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol

C9H20O2S — CID 114495244

IUPAC1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol
SMILESCCC(C)(O)CSC(C)CCO
InChIInChI=1S/C9H20O2S/c1-4-9(3,11)7-12-8(2)5-6-10/h8,10-11H,4-7H2,1-3H3
InChIKeyQZVJWDUPUHYCDB-UHFFFAOYSA-N
MW192.32 g/mol
LogP1.65
Rot. Bonds6

About 1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol

1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol (PubChem CID 114495244) has the molecular formula C9H20O2S and a molecular weight of 192.32 g/mol. Its IUPAC name is 1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol
PubChem CID114495244
Molecular FormulaC9H20O2S
Molecular Weight192.32 g/mol
Exact Mass192.12
IUPAC Name1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol
SMILESCCC(C)(O)CSC(C)CCO
InChIInChI=1S/C9H20O2S/c1-4-9(3,11)7-12-8(2)5-6-10/h8,10-11H,4-7H2,1-3H3
InChIKeyQZVJWDUPUHYCDB-UHFFFAOYSA-N
XLogP1.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2,2-trifluoroethylsulfanyl)butan-1-ol
CID 66137504
2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide
CID 66135959
2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile
CID 66137296
1-(2-hydroxyethylsulfanyl)-2-methylbutan-2-ol
CID 114495238
2-methylbutan-2-ol;3-methylbutan-1-ol
CID 159050772
methyl 3-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 66136846
3-(ethoxymethylsulfanyl)butan-1-ol
CID 66138808
ethyl 3-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanoate
CID 66137754
3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol
CID 103034816
2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide
CID 165467276
2-(cyclopropylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile
CID 66137293
N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 66136137

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol?
The IUPAC name of 1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol (CID 114495244) is 1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol?
The canonical SMILES for 1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol is CCC(C)(O)CSC(C)CCO.
What is the InChIKey of 1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol?
The InChIKey is QZVJWDUPUHYCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2S/c1-4-9(3,11)7-12-8(2)5-6-10/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol?
1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol has a molecular weight of 192.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol is sourced from PubChem (CID 114495244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).