(6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol

C10H10OS2 — CID 130961954

IUPAC(6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol
SMILESCc1cc(CO)c2c(S)csc2c1
InChIInChI=1S/C10H10OS2/c1-6-2-7(4-11)10-8(12)5-13-9(10)3-6/h2-3,5,11-12H,4H2,1H3
InChIKeyCDTKPURFAGWTAM-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.99
Rot. Bonds1

About (6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol

(6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol (PubChem CID 130961954) has the molecular formula C10H10OS2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol
PubChem CID130961954
Molecular FormulaC10H10OS2
Molecular Weight210.32 g/mol
Exact Mass210.02
IUPAC Name(6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol
SMILESCc1cc(CO)c2c(S)csc2c1
InChIInChI=1S/C10H10OS2/c1-6-2-7(4-11)10-8(12)5-13-9(10)3-6/h2-3,5,11-12H,4H2,1H3
InChIKeyCDTKPURFAGWTAM-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol?
The IUPAC name of (6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol (CID 130961954) is (6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol is Cc1cc(CO)c2c(S)csc2c1.
What is the InChIKey of (6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol?
The InChIKey is CDTKPURFAGWTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS2/c1-6-2-7(4-11)10-8(12)5-13-9(10)3-6/h2-3,5,11-12H,4H2,1H3.
What are the key properties of (6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol?
(6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol has a molecular weight of 210.32 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 130961954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).