4-Amino-6-methylpyrimidine-2-thiol
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Basic information
- CAS
89180-08-5- Standard SMILES
Cc1cc(N)nc(=S)[nH]1- InChIKey
GAVFWRDGXUMIIY-UHFFFAOYSA-N- Molecular formula
- C5H7N3S
- Average molar mass
- 141.2 g/mol
- Monoisotopic mass
- 141.03606841
Overview
See also: 4-Amino-2-mercapto-6-methylpyrimidine (annotation moved to).
Names & identifiers
- Preferred name
- 4-Amino-6-methylpyrimidine-2-thiol
- IUPAC
- 4-amino-6-methyl-1H-pyrimidine-2-thione
- English name
- 2(1H)-Pyrimidinethione, 4-amino-6-methyl- (9CI)
- Molecular formula
- C5H7N3S
- Molecular weight
- 141.19
Names & synonyms
4-amino-6-methylpyrimidine-2-thiol89180-08-54-amino-6-methyl-1H-pyrimidine-2-thione2(1H)-Pyrimidinethione, 4-amino-6-methyl-6-amino-4-methylpyrimidine-2(1H)-thione6-methylthiocytosine4-Amino-6-methylpyrimidine-2-thiole4-amino-6-methyl-1,2-dihydropyrimidine-2-thioneSCHEMBL844766SCHEMBL9976687SCHEMBL27218891DTXSID20357508
Show more names
2(1H)-Pyrimidinethione, 6-amino-4-methyl-2(1H)-Pyrimidinethione, 4-amino-6-methyl- (9CI)
GAVFWRDGXUMIIY-UHFFFAOYSA-NHMS1715M144-amino-6-methyl-2-thiopyrimidinePDA180086-amino-4-methylpyrimidine-2-thiolMFCD00090794SBB086210AKOS000430866
Database identifiers
- CAS
89180-08-5- PubChem CID
- 853885
- DTXSID
DTXSID20357508
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 259 · 259.0±23.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 11.36 · 11.36±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 262 · P262-P280
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 24 · 24/25-36/37
- HS Code
- 29335990 · 29335990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29335990
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25-36/37
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P262-P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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