4,6-dimethyl-1H-pyrimidine-2-thione;hydron;chloride
Basic information
- CAS
28176-16-1- Standard SMILES
Cc1cc(C)[nH]c(=S)n1.[Cl-].[H+]- InChIKey
KAHPDWLNROMIHC-UHFFFAOYSA-N- Molecular formula
- C6H9ClN2S
- Average molar mass
- 176.67 g/mol
- Monoisotopic mass
- 176.0174972
Overview
See also: 4,6-dimethyl-1H-pyrimidine-2-thione hydrochloride (preferred).
Names & identifiers
- Preferred name
- 4,6-dimethyl-1H-pyrimidine-2-thione;hydron;chloride
- IUPAC
- 4,6-dimethyl-1H-pyrimidine-2-thione;hydron;chloride
Database identifiers
- CAS
28176-16-1、62501-45-5- PubChem CID
- 91979986
Properties
Computed structural properties
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 203
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Compound notes
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