Basic information
- CAS
53286-05-8- Standard SMILES
CSc1nc(N)c(S(=O)(=O)O)c(N)n1- InChIKey
NLIPMTYIUKWPGW-UHFFFAOYSA-N- Molecular formula
- C5H8N4O3S2
- Average molar mass
- 236.3 g/mol
- Monoisotopic mass
- 236.00378248
Overview
See also: 4,6-Diamino-2-methylthiopyrimidine-5-sulfonic acid (annotation moved to).
Names & identifiers
- Preferred name
- 4-Amino-6-imino-2-(methylsulfanyl)-1,6-dihydropyrimidine-5-sulfonic acid
- IUPAC
- 4,6-diamino-2-methylsulfanylpyrimidine-5-sulfonic acid
- English name
- 4,6-Diamino-2-methylthio-5-pyrimidinesulfonic acid
- Molecular formula
- C5H8N4O3S2
- Molecular weight
- 236.27
Names & synonyms
DTXSID409678654-Amino-6-imino-2-(methylsulfanyl)-1,6-dihydropyrimidine-5-sulfonic acidRefChem:1070291DTXCID70139545953286-05-85-Pyrimidinesulfonic acid, 4,6-diamino-2-methylthio-4,6-Diamino-2-methylthio-5-pyrimidine sulfonic acid4,6-Diamino-2-(methylthio)pyrimidine-5-sulfonic acid4,6-diamino-2-methylsulfanylpyrimidine-5-sulfonic acidNSC 65399BRN 0535742NSC65399
Show more names
4,6-DIAMINO-2-METHYLTHIOPYRIMIDINE-5-SULFONIC ACID5-Pyrimidinesulfonic acid, 4,6-diamino-2-(methylthio)-
4,6-Diamino-2-methylthio-5-pyrimidinesulfonic acidNCIOpen2_002980SCHEMBL569410NSC-65399AKOS024335806WLN: T6N CNJ BS1 DZ ESWQ FZDB-294944ST50550930
Database identifiers
- CAS
53286-05-8- PubChem CID
- 96283
- DTXSID
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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