5-Amino-2-(methylthio)pyrimidine - CAS 42382-46-7
Catalog: |
BB025122 |
Product Name: |
5-Amino-2-(methylthio)pyrimidine |
CAS: |
42382-46-7 |
Synonyms: |
2-(methylthio)-5-pyrimidinamine; 2-methylsulfanylpyrimidin-5-amine |
IUPAC Name: | 2-methylsulfanylpyrimidin-5-amine |
Description: | 5-Amino-2-(methylthio)pyrimidine (CAS# 42382-46-7) is a useful research chemical. |
Molecular Weight: | 141.19 |
Molecular Formula: | C5H7N3S |
Canonical SMILES: | CSC1=NC=C(C=N1)N |
InChI: | InChI=1S/C5H7N3S/c1-9-5-7-2-4(6)3-8-5/h2-3H,6H2,1H3 |
InChI Key: | NRJNAXLXHFQYEX-UHFFFAOYSA-N |
Boiling Point: | 313 ℃ |
Density: | 1.28 g/cm3 |
LogP: | 1.36190 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-3064176-A1 | Pyrimidine compound | 20170531 |
CN-110603248-A | Pyrimidine compounds | 20170531 |
KR-20200011962-A | Pyrimidine compounds | 20170531 |
TW-201902890-A | Pyrimidine compound | 20170531 |
US-2020017476-A1 | Pyrimidine compound | 20170531 |
Complexity: | 80.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.03606841 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.03606841 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 77.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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