Ethyl 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate

CAS
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CAS
959070-42-9
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Purity
96%
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Catalog Number

ACM959070429

Product Name

Ethyl 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate

CAS

959070-42-9

Category

Heterocyclic Organic Compound

Synonyms

ETHYL 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE, 959070-42-9, AC1LBDOM, CTK6F5334, ANW-63406, AKOS015892474, Pyrimidine-5-carboxylic acid, 4,6-dichloro-2-(methylthio)-, ethyl ester, AG-K-88204, QC-9669, AK-82571, AB1000677, KB-253203, I03-0740, ethyl 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylate, ethyl 4,6-dichloro-2-(methylsulfanyl)pyrimidine-5-carboxylate

IUPAC Name

ethyl 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylate

Molecular Weight

267.132320 [g/mol]

Molecular Formula

C8H8Cl2N2O2S

Canonical SMILES

CCOC(=O)C1=C(N=C(N=C1Cl)SC)Cl

InChI Key

HXNWMDJXIPNHBK-UHFFFAOYSA-N

Exact Mass

265.96800

H-Bond Acceptor

5

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the IUPAC name of the compound?

The IUPAC name of the compound is ethyl 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylate.

What is the molecular formula of the compound?

The molecular formula of the compound is C8H8Cl2N2O2S.

What is the molecular weight of the compound?

The molecular weight of the compound is 267.13 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C8H8Cl2N2O2S/c1-3-14-7(13)4-5(9)11-8(15-2)12-6(4)10/h3H2,1-2H3.

What is the InChIKey of the compound?

The InChIKey of the compound is HXNWMDJXIPNHBK-UHFFFAOYSA-N.

What is the CAS number of the compound?

The CAS number of the compound is 959070-42-9.

What is the European Community (EC) Number of the compound?

The European Community (EC) Number of the compound is 863-012-2.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 0.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count of the compound is 5.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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