4-Chloro-5H,6H,7H-pyrimido[4,5-b][1,4]thiazin-6-one - CAS 20015-70-7
Catalog: |
BB015450 |
Product Name: |
4-Chloro-5H,6H,7H-pyrimido[4,5-b][1,4]thiazin-6-one |
CAS: |
20015-70-7 |
Synonyms: |
4-chloro-5H-pyrimido[4,5-b][1,4]thiazin-6-one; 4-chloro-5H-pyrimido[4,5-b][1,4]thiazin-6-one |
IUPAC Name: | 4-chloro-5H-pyrimido[4,5-b][1,4]thiazin-6-one |
Description: | 4-Chloro-5H,6H,7H-pyrimido[4,5-b][1,4]thiazin-6-one (CAS# 20015-70-7) is a useful research chemical. |
Molecular Weight: | 201.63 |
Molecular Formula: | C6H4ClN3OS |
Canonical SMILES: | C1C(=O)NC2=C(S1)N=CN=C2Cl |
InChI: | InChI=1S/C6H4ClN3OS/c7-5-4-6(9-2-8-5)12-1-3(11)10-4/h2H,1H2,(H,10,11) |
InChI Key: | MKDDAWZPKMATGS-UHFFFAOYSA-N |
LogP: | 1.31220 |
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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.9763606 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.9763606 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 80.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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