2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol

C9H14OS2 — CID 79361582

IUPAC2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol
SMILESCC(C)(O)CCSc1cccs1
InChIInChI=1S/C9H14OS2/c1-9(2,10)5-7-12-8-4-3-6-11-8/h3-4,6,10H,5,7H2,1-2H3
InChIKeySVUGURVECDZPJJ-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.00
Rot. Bonds4

About 2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol

2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol (PubChem CID 79361582) has the molecular formula C9H14OS2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol.

Molecular Properties

Compound Name2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol
PubChem CID79361582
Molecular FormulaC9H14OS2
Molecular Weight202.34 g/mol
Exact Mass202.05
IUPAC Name2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol
SMILESCC(C)(O)CCSc1cccs1
InChIInChI=1S/C9H14OS2/c1-9(2,10)5-7-12-8-4-3-6-11-8/h3-4,6,10H,5,7H2,1-2H3
InChIKeySVUGURVECDZPJJ-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-thiophen-2-ylsulfanylbutan-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

2-methyl-1-thiophen-2-ylsulfanylbutan-2-ol
CID 114496150
2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol
CID 64820619
N-(3-thiophen-2-ylsulfanylpropyl)acetamide
CID 58169495
2-(6,6,6-trifluorohexylsulfanyl)thiophene
CID 19813492
2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899
4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methylbutan-2-ol
CID 111537007
2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene
CID 11276152
2-methyl-6-thiophen-2-ylhexan-2-ol
CID 96656971
1-thiophen-2-ylsulfanylpropan-2-one
CID 521033
2,5-dimethyl-5-thiophen-2-ylhexan-2-ol
CID 18466748
2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline
CID 62577112
1-amino-4-thiophen-2-ylsulfanylbutan-2-ol
CID 64814678

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol?
The IUPAC name of 2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol (CID 79361582) is 2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol.
What is the SMILES notation for 2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol?
The canonical SMILES for 2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol is CC(C)(O)CCSc1cccs1.
What is the InChIKey of 2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol?
The InChIKey is SVUGURVECDZPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS2/c1-9(2,10)5-7-12-8-4-3-6-11-8/h3-4,6,10H,5,7H2,1-2H3.
What are the key properties of 2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol?
2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol is sourced from PubChem (CID 79361582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).