(3-methylthiophen-2-yl)methanol

C6H8OS — CID 12875263

IUPAC(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1CO
InChIInChI=1S/C6H8OS/c1-5-2-3-8-6(5)4-7/h2-3,7H,4H2,1H3
InChIKeyUAQJEIWAMCLVTE-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.55
Rot. Bonds1

About (3-methylthiophen-2-yl)methanol

(3-methylthiophen-2-yl)methanol (PubChem CID 12875263) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)methanol
PubChem CID12875263
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1CO
InChIInChI=1S/C6H8OS/c1-5-2-3-8-6(5)4-7/h2-3,7H,4H2,1H3
InChIKeyUAQJEIWAMCLVTE-UHFFFAOYSA-N
XLogP1.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)methanol?
The IUPAC name of (3-methylthiophen-2-yl)methanol (CID 12875263) is (3-methylthiophen-2-yl)methanol.
What is the SMILES notation for (3-methylthiophen-2-yl)methanol?
The canonical SMILES for (3-methylthiophen-2-yl)methanol is Cc1ccsc1CO.
What is the InChIKey of (3-methylthiophen-2-yl)methanol?
The InChIKey is UAQJEIWAMCLVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-5-2-3-8-6(5)4-7/h2-3,7H,4H2,1H3.
What are the key properties of (3-methylthiophen-2-yl)methanol?
(3-methylthiophen-2-yl)methanol has a molecular weight of 128.20 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 12875263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).