Basic information
- CAS
2038-32-6- Standard SMILES
CSc1cc(N)ncn1- InChIKey
ZTPARTFFNQLVSF-UHFFFAOYSA-N- Molecular formula
- C5H7N3S
- Average molar mass
- 141.2 g/mol
- Monoisotopic mass
- 141.03606841
Names & identifiers
- Preferred name
- 6-(Methylsulfanyl)pyrimidin-4-amine
- IUPAC
- 6-methylsulfanylpyrimidin-4-amine
- English name
- 4-Pyrimidinamine, 6-(methylthio)- (9CI)
- Molecular formula
- C5H7N3S
- Molecular weight
- 141.19
Names & synonyms
2038-32-66-(methylsulfanyl)pyrimidin-4-amineDTXSID40285854RefChem:306883DTXCID902370056-(methylthio)pyrimidin-4-amine4-Pyrimidinamine, 6-(methylthio)-6-methylsulfanylpyrimidin-4-amine4-Pyrimidinamine, 6-(methylthio)- (9CI)MFCD18820909NSC43014SCHEMBL13741278
Show more names
ZTPARTFFNQLVSF-UHFFFAOYSA-Npyrimidine, 4-amino-6-methylthio-CAA03832NSC-43014[6-(methylthio)pyrimidin-4-yl]amineAKOS006339592SB57056AS-92019
Database identifiers
- CAS
2038-32-6- PubChem CID
- 238575
- DTXSID
DTXSID40285854- EC Number
- 117-262-8
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.3
Physicochemical properties
- Melting point
- 167 °C · 167 °C(Solv: benzene (71-43-2))
- Boiling point
- 318.9 · 318.9±27.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 3.69 · 3.69±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
兰州金诚楷摩医药科技有限公司13361936468 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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