(7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol

C10H10OS2 — CID 131080883

IUPAC(7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
SMILESCc1cc(S)cc2cc(CO)sc12
InChIInChI=1S/C10H10OS2/c1-6-2-8(12)3-7-4-9(5-11)13-10(6)7/h2-4,11-12H,5H2,1H3
InChIKeyGWUAVNFYAIJHBG-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.99
Rot. Bonds1

About (7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol

(7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol (PubChem CID 131080883) has the molecular formula C10H10OS2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
PubChem CID131080883
Molecular FormulaC10H10OS2
Molecular Weight210.32 g/mol
Exact Mass210.02
IUPAC Name(7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
SMILESCc1cc(S)cc2cc(CO)sc12
InChIInChI=1S/C10H10OS2/c1-6-2-8(12)3-7-4-9(5-11)13-10(6)7/h2-4,11-12H,5H2,1H3
InChIKeyGWUAVNFYAIJHBG-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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Related Compounds

2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol
CID 130805249
(5,7-dibromo-1-benzothiophen-2-yl)methanol
CID 130982936
(5-amino-7-iodo-1-benzothiophen-2-yl)methanol
CID 131014314
2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene
CID 130805587
(7-bromo-1-benzothiophen-2-yl)methanol
CID 53396438
(7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130821638
2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol
CID 131057252
(4-chloro-6-sulfanyl-1-benzothiophen-2-yl)methanol
CID 130792451
(7-amino-6-bromo-1-benzothiophen-2-yl)methanol
CID 130805571
7-methyl-5-sulfanyl-1-benzothiophen-3-ol
CID 130821450
4-(2,6-dimethyl-4-sulfanylphenyl)-3,5-dimethylbenzenethiol
CID 57481256
7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol
CID 131146482

Frequently Asked Questions

What is the IUPAC name of (7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol?
The IUPAC name of (7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol (CID 131080883) is (7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol is Cc1cc(S)cc2cc(CO)sc12.
What is the InChIKey of (7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol?
The InChIKey is GWUAVNFYAIJHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS2/c1-6-2-8(12)3-7-4-9(5-11)13-10(6)7/h2-4,11-12H,5H2,1H3.
What are the key properties of (7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol?
(7-methyl-5-sulfanyl-1-benzothiophen-2-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 (7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 131080883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).