(6-methyl-1-benzothiophen-2-yl) formate

C10H8O2S — CID 142735292

IUPAC(6-methyl-1-benzothiophen-2-yl) formate
SMILESCc1ccc2cc(OC=O)sc2c1
InChIInChI=1S/C10H8O2S/c1-7-2-3-8-5-10(12-6-11)13-9(8)4-7/h2-6H,1H3
InChIKeyRSUFDLONIQSSIB-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.74
Rot. Bonds2

About (6-methyl-1-benzothiophen-2-yl) formate

(6-methyl-1-benzothiophen-2-yl) formate (PubChem CID 142735292) has the molecular formula C10H8O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is (6-methyl-1-benzothiophen-2-yl) formate.

Molecular Properties

Compound Name(6-methyl-1-benzothiophen-2-yl) formate
PubChem CID142735292
Molecular FormulaC10H8O2S
Molecular Weight192.24 g/mol
Exact Mass192.02
IUPAC Name(6-methyl-1-benzothiophen-2-yl) formate
SMILESCc1ccc2cc(OC=O)sc2c1
InChIInChI=1S/C10H8O2S/c1-7-2-3-8-5-10(12-6-11)13-9(8)4-7/h2-6H,1H3
InChIKeyRSUFDLONIQSSIB-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1-benzothiophene-2-carboxylic acid
CID 12813850
N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine
CID 117195817
6-methyl-2-(2-methylphenyl)-1-benzothiophene
CID 142624987
6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene
CID 117185899
(2-hydroxy-4-methylphenyl) formate
CID 58909986
sodium;bis(carbon dioxide);2,6-dimethyl-1-benzothiophene;2-methyl-1-benzothiophene;hydroxide
CID 158311681
2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene
CID 117185902
5-(6-methyl-1-benzothiophen-2-yl)pyridin-2-amine
CID 115113658
6-methylnaphthalene-2-carbaldehyde
CID 6452268
methyl formate;1,2,4-trimethylbenzene
CID 143881724
N-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide
CID 20696220
(5-phenylthiophen-2-yl) formate
CID 174545839

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1-benzothiophen-2-yl) formate?
The IUPAC name of (6-methyl-1-benzothiophen-2-yl) formate (CID 142735292) is (6-methyl-1-benzothiophen-2-yl) formate.
What is the SMILES notation for (6-methyl-1-benzothiophen-2-yl) formate?
The canonical SMILES for (6-methyl-1-benzothiophen-2-yl) formate is Cc1ccc2cc(OC=O)sc2c1.
What is the InChIKey of (6-methyl-1-benzothiophen-2-yl) formate?
The InChIKey is RSUFDLONIQSSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S/c1-7-2-3-8-5-10(12-6-11)13-9(8)4-7/h2-6H,1H3.
What are the key properties of (6-methyl-1-benzothiophen-2-yl) formate?
(6-methyl-1-benzothiophen-2-yl) formate has a molecular weight of 192.24 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1-benzothiophen-2-yl) formate is sourced from PubChem (CID 142735292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).