(3-methyl-2,3-dihydrothiophen-5-yl)methanol

C6H10OS — CID 70248689

IUPAC(3-methyl-2,3-dihydrothiophen-5-yl)methanol
SMILESCC1C=C(CO)SC1
InChIInChI=1S/C6H10OS/c1-5-2-6(3-7)8-4-5/h2,5,7H,3-4H2,1H3
InChIKeyYHRKPNOISXZJTR-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.25
Rot. Bonds1

About (3-methyl-2,3-dihydrothiophen-5-yl)methanol

(3-methyl-2,3-dihydrothiophen-5-yl)methanol (PubChem CID 70248689) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (3-methyl-2,3-dihydrothiophen-5-yl)methanol.

Molecular Properties

Compound Name(3-methyl-2,3-dihydrothiophen-5-yl)methanol
PubChem CID70248689
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(3-methyl-2,3-dihydrothiophen-5-yl)methanol
SMILESCC1C=C(CO)SC1
InChIInChI=1S/C6H10OS/c1-5-2-6(3-7)8-4-5/h2,5,7H,3-4H2,1H3
InChIKeyYHRKPNOISXZJTR-UHFFFAOYSA-N
XLogP1.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-methyl-2,3-dihydrothiophen-5-yl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,3-dihydrothiophen-5-yl)methanol?
The IUPAC name of (3-methyl-2,3-dihydrothiophen-5-yl)methanol (CID 70248689) is (3-methyl-2,3-dihydrothiophen-5-yl)methanol.
What is the SMILES notation for (3-methyl-2,3-dihydrothiophen-5-yl)methanol?
The canonical SMILES for (3-methyl-2,3-dihydrothiophen-5-yl)methanol is CC1C=C(CO)SC1.
What is the InChIKey of (3-methyl-2,3-dihydrothiophen-5-yl)methanol?
The InChIKey is YHRKPNOISXZJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-5-2-6(3-7)8-4-5/h2,5,7H,3-4H2,1H3.
What are the key properties of (3-methyl-2,3-dihydrothiophen-5-yl)methanol?
(3-methyl-2,3-dihydrothiophen-5-yl)methanol has a molecular weight of 130.21 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,3-dihydrothiophen-5-yl)methanol is sourced from PubChem (CID 70248689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).