3,5-dichloro-2-methyl-1-benzothiophene

C9H6Cl2S — CID 59511137

IUPAC3,5-dichloro-2-methyl-1-benzothiophene
SMILESCc1sc2ccc(Cl)cc2c1Cl
InChIInChI=1S/C9H6Cl2S/c1-5-9(11)7-4-6(10)2-3-8(7)12-5/h2-4H,1H3
InChIKeyYFOPNZGFKJWEIP-UHFFFAOYSA-N
MW217.12 g/mol
LogP4.52
Rot. Bonds

About 3,5-dichloro-2-methyl-1-benzothiophene

3,5-dichloro-2-methyl-1-benzothiophene (PubChem CID 59511137) has the molecular formula C9H6Cl2S and a molecular weight of 217.12 g/mol. Its IUPAC name is 3,5-dichloro-2-methyl-1-benzothiophene.

Molecular Properties

Compound Name3,5-dichloro-2-methyl-1-benzothiophene
PubChem CID59511137
Molecular FormulaC9H6Cl2S
Molecular Weight217.12 g/mol
Exact Mass215.96
IUPAC Name3,5-dichloro-2-methyl-1-benzothiophene
SMILESCc1sc2ccc(Cl)cc2c1Cl
InChIInChI=1S/C9H6Cl2S/c1-5-9(11)7-4-6(10)2-3-8(7)12-5/h2-4H,1H3
InChIKeyYFOPNZGFKJWEIP-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.12
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-dichloro-2-methyl-1-benzothiophene;ethane
CID 144669158
5-chloro-2-methyl-1-benzothiophen-3-ol
CID 90918117
6-chloro-2,3-dimethylthiochromen-4-one
CID 86172878
5-chloro-2-methyl-3-(4-methylphenyl)-1-benzothiophene
CID 4672420
5-chloro-2-methyl-1-benzothiophene-3-sulfonamide
CID 150846661
3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine
CID 83912557
6-chloro-2-methylthiochromen-4-one
CID 2810162
5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene
CID 58861002
5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide
CID 23548743
2-chlorothioxanthen-9-one;9,10-dimethylanthracene
CID 158085285
2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 11689067
5-chloro-2,3-dimethyl-1,2-benzothiazol-2-ium
CID 22332834

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-methyl-1-benzothiophene?
The IUPAC name of 3,5-dichloro-2-methyl-1-benzothiophene (CID 59511137) is 3,5-dichloro-2-methyl-1-benzothiophene.
What is the SMILES notation for 3,5-dichloro-2-methyl-1-benzothiophene?
The canonical SMILES for 3,5-dichloro-2-methyl-1-benzothiophene is Cc1sc2ccc(Cl)cc2c1Cl.
What is the InChIKey of 3,5-dichloro-2-methyl-1-benzothiophene?
The InChIKey is YFOPNZGFKJWEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2S/c1-5-9(11)7-4-6(10)2-3-8(7)12-5/h2-4H,1H3.
What are the key properties of 3,5-dichloro-2-methyl-1-benzothiophene?
3,5-dichloro-2-methyl-1-benzothiophene has a molecular weight of 217.12 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-methyl-1-benzothiophene is sourced from PubChem (CID 59511137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).