2-Chlorothiophene

CAS
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CAS
96-43-5
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Catalog Number

ACM96435

Product Name

2-Chlorothiophene

Structure

Structure

CAS

96-43-5

Category

Thiophenes

Synonyms

2-Thienyl chloride; Chlorothiophen

IUPAC Name

2-chlorothiophene

Molecular Weight

118.59g/mol

Molecular Formula

C4H3ClS

Canonical SMILES

C1=CSC(=C1)Cl

InChI

InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H

InChI Key

GSFNQBFZFXUTBN-UHFFFAOYSA-N

Boiling Point

128.3 °C

Melting Point

-71.9 °C

Flash Point

22.8°C

Density

1.305 g/cm³ at 25 °C(lit.)

Complexity

46.8

Covalently-Bonded Unit Count

1

EC Number

202-505-3

Exact Mass

117.964399g/mol

Formal Charge

0

H-Bond Acceptor

1

H-Bond Donor

0

Heavy Atom Count

6

LogP

2.54 (LogP)

Monoisotopic Mass

117.964399g/mol

NSC Number

8747

Rotatable Bond Count

0

UNII

3EVV74IJN6

Vapor Pressure

23.76 mmHg

XLogP3

2.5

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 2-Chlorothiophene?

The molecular formula of 2-Chlorothiophene is C4H3ClS.

What is the molecular weight of 2-Chlorothiophene?

The molecular weight of 2-Chlorothiophene is 118.59 g/mol.

What is the IUPAC name of 2-Chlorothiophene?

The IUPAC name of 2-Chlorothiophene is 2-chlorothiophene.

What is the InChI of 2-Chlorothiophene?

The InChI of 2-Chlorothiophene is InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H.

What is the InChIKey of 2-Chlorothiophene?

The InChIKey of 2-Chlorothiophene is GSFNQBFZFXUTBN-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Chlorothiophene?

The canonical SMILES of 2-Chlorothiophene is C1=CSC(=C1)Cl.

What is the CAS number of 2-Chlorothiophene?

The CAS number of 2-Chlorothiophene is 96-43-5.

What is the European Community (EC) number of 2-Chlorothiophene?

The European Community (EC) number of 2-Chlorothiophene is 202-505-3.

What is the UNII of 2-Chlorothiophene?

The UNII of 2-Chlorothiophene is 3EVV74IJN6.

Is 2-Chlorothiophene a canonicalized compound?

Yes, 2-Chlorothiophene is a canonicalized compound.

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