6-chloro-3-ethylsulfanyl-1-benzothiophene

C10H9ClS2 — CID 174892219

IUPAC6-chloro-3-ethylsulfanyl-1-benzothiophene
SMILESCCSc1csc2cc(Cl)ccc12
InChIInChI=1S/C10H9ClS2/c1-2-12-10-6-13-9-5-7(11)3-4-8(9)10/h3-6H,2H2,1H3
InChIKeyQRCRKYPVVBFMGB-UHFFFAOYSA-N
MW228.77 g/mol
LogP4.67
Rot. Bonds2

About 6-chloro-3-ethylsulfanyl-1-benzothiophene

6-chloro-3-ethylsulfanyl-1-benzothiophene (PubChem CID 174892219) has the molecular formula C10H9ClS2 and a molecular weight of 228.77 g/mol. Its IUPAC name is 6-chloro-3-ethylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name6-chloro-3-ethylsulfanyl-1-benzothiophene
PubChem CID174892219
Molecular FormulaC10H9ClS2
Molecular Weight228.77 g/mol
Exact Mass227.98
IUPAC Name6-chloro-3-ethylsulfanyl-1-benzothiophene
SMILESCCSc1csc2cc(Cl)ccc12
InChIInChI=1S/C10H9ClS2/c1-2-12-10-6-13-9-5-7(11)3-4-8(9)10/h3-6H,2H2,1H3
InChIKeyQRCRKYPVVBFMGB-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.77
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3-(methylsulfanylmethyl)-1-benzothiophene
CID 117178170
6-chloro-3-[[ethoxy(methyl)phosphoryl]methyl]-1-benzothiophene
CID 97300927
5-chloro-2-ethylsulfanylaniline;hydrochloride
CID 17381710
N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride
CID 19360190
3-chloro-6-(diethoxymethyl)-1-benzothiophene
CID 91756094
7-chloro-3-ethylsulfanyl-1-methylquinolin-4-one
CID 13188128
5-chloro-3-(2-methylpropyl)-1-benzothiophene
CID 20826796
5-chloro-3-(2,2-dimethylpropyl)-1-benzothiophene
CID 21014712
5-chloro-3-ethoxy-1-benzothiophene
CID 119095235
3-chloro-6-ethyl-1-benzothiophene
CID 91757441
5-chloro-1-benzothiophen-3-ol
CID 14555197
3-butyl-5-chloro-1-benzothiophene
CID 67585304

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethylsulfanyl-1-benzothiophene?
The IUPAC name of 6-chloro-3-ethylsulfanyl-1-benzothiophene (CID 174892219) is 6-chloro-3-ethylsulfanyl-1-benzothiophene.
What is the SMILES notation for 6-chloro-3-ethylsulfanyl-1-benzothiophene?
The canonical SMILES for 6-chloro-3-ethylsulfanyl-1-benzothiophene is CCSc1csc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-ethylsulfanyl-1-benzothiophene?
The InChIKey is QRCRKYPVVBFMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClS2/c1-2-12-10-6-13-9-5-7(11)3-4-8(9)10/h3-6H,2H2,1H3.
What are the key properties of 6-chloro-3-ethylsulfanyl-1-benzothiophene?
6-chloro-3-ethylsulfanyl-1-benzothiophene has a molecular weight of 228.77 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethylsulfanyl-1-benzothiophene is sourced from PubChem (CID 174892219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).