2-methylthiolan-3-ol

C5H10OS — CID 19957309

IUPAC2-methylthiolan-3-ol
SMILESCC1SCCC1O
InChIInChI=1S/C5H10OS/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3
InChIKeyHAUQWGSXLBQNPN-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.87
Rot. Bonds

About 2-methylthiolan-3-ol

2-methylthiolan-3-ol (PubChem CID 19957309) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-methylthiolan-3-ol.

Molecular Properties

Compound Name2-methylthiolan-3-ol
PubChem CID19957309
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name2-methylthiolan-3-ol
SMILESCC1SCCC1O
InChIInChI=1S/C5H10OS/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3
InChIKeyHAUQWGSXLBQNPN-UHFFFAOYSA-N
XLogP0.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methylthiolan-3-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

(2,2-Dimethyl-1,3-dithiolan-4-yl)methanol
CID 21893
Thiolan-3-ol
CID 315652
Tetrahydro-2H-thiopyran-4-ol
CID 576296
4-(Methylthio)-2-butanol
CID 12659797
cis-3,4-Dihydroxythiolane
CID 15869436
2-Propanol, 1-(ethylthio)-
CID 86041
(r)-Tetrahydrothiophen-3-ol
CID 10011856
(3S)-thiolan-3-ol
CID 10103130
3-(Methylsulfanyl)butan-2-ol
CID 13461355
Thiolan-2-ylmethanol
CID 22395729
(2R)-4-(methylsulfanyl)butan-2-ol
CID 124415470
trans-2-Methylthiolan-3-ol
CID 56991911

Frequently Asked Questions

What is the IUPAC name of 2-methylthiolan-3-ol?
The IUPAC name of 2-methylthiolan-3-ol (CID 19957309) is 2-methylthiolan-3-ol.
What is the SMILES notation for 2-methylthiolan-3-ol?
The canonical SMILES for 2-methylthiolan-3-ol is CC1SCCC1O.
What is the InChIKey of 2-methylthiolan-3-ol?
The InChIKey is HAUQWGSXLBQNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3.
What are the key properties of 2-methylthiolan-3-ol?
2-methylthiolan-3-ol has a molecular weight of 118.20 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiolan-3-ol is sourced from PubChem (CID 19957309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).