2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride

C10H6Cl2OS — CID 119092270

IUPAC2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride
SMILESO=C(Cl)Cc1cc2cc(Cl)ccc2s1
InChIInChI=1S/C10H6Cl2OS/c11-7-1-2-9-6(3-7)4-8(14-9)5-10(12)13/h1-4H,5H2
InChIKeyZIDLAKMPTBAQNS-UHFFFAOYSA-N
MW245.13 g/mol
LogP3.86
Rot. Bonds2

About 2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride

2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride (PubChem CID 119092270) has the molecular formula C10H6Cl2OS and a molecular weight of 245.13 g/mol. Its IUPAC name is 2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride.

Molecular Properties

Compound Name2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride
PubChem CID119092270
Molecular FormulaC10H6Cl2OS
Molecular Weight245.13 g/mol
Exact Mass243.95
IUPAC Name2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride
SMILESO=C(Cl)Cc1cc2cc(Cl)ccc2s1
InChIInChI=1S/C10H6Cl2OS/c11-7-1-2-9-6(3-7)4-8(14-9)5-10(12)13/h1-4H,5H2
InChIKeyZIDLAKMPTBAQNS-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-1-benzothiophen-2-yl)methanol
CID 23340421
5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene
CID 58689208
N-[(5-chloro-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 117176302
2-(5-chloro-1-benzothiophen-2-yl)acetonitrile
CID 15155567
1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine
CID 82662571
5-chloro-2-methyl-1-benzothiophene
CID 2747689
5-chloro-2-methyl-1-benzothiophene;ethane;propane
CID 142538359
2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol
CID 117121243
2-(1-benzothiophen-2-ylmethyl)-4-chloroaniline
CID 58758653
1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one
CID 146932608
3-[2-(3-amino-4-chlorophenyl)acetyl]-6-chlorothiochromen-2-one
CID 67007632
2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105088256

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride?
The IUPAC name of 2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride (CID 119092270) is 2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride.
What is the SMILES notation for 2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride?
The canonical SMILES for 2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride is O=C(Cl)Cc1cc2cc(Cl)ccc2s1.
What is the InChIKey of 2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride?
The InChIKey is ZIDLAKMPTBAQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2OS/c11-7-1-2-9-6(3-7)4-8(14-9)5-10(12)13/h1-4H,5H2.
What are the key properties of 2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride?
2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride has a molecular weight of 245.13 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride is sourced from PubChem (CID 119092270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).