Urea, 1-(2-chloroethyl)-1-nitroso-3-(5-nitro-2-thiazolyl)-

HCID 97377

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Basic information

CAS: 33024-33-8
Standard SMILES: O=NN(CCCl)C(=O)Nc1ncc([N+](=O)[O-])s1
InChIKey: JUYYKEIJMDGWID-UHFFFAOYSA-N
Molecular formula: C6H6ClN5O4S
Average molar mass: 279.66 g/mol
Monoisotopic mass: 278.9829026

Names & identifiers

Preferred name: Urea, 1-(2-chloroethyl)-1-nitroso-3-(5-nitro-2-thiazolyl)-
IUPAC: 1-(2-chloroethyl)-1-nitroso-3-(5-nitro-1,3-thiazol-2-yl)urea

Names & synonyms

Urea, 1-(2-chloroethyl)-1-nitroso-3-(5-nitro-2-thiazolyl)-NSC 119145BRN 102464333024-33-81-(2-Chloroethyl)-1-nitroso-3-(5-nitro-2-thiazolyl)ureaDTXSID90186680RefChem:387316DTXCID30109171NSC119145NSC-119145Urea, N-(2-chloroethyl)-N-nitroso-N'-(5-nitrothiazol-2-yl)-N-(2-Chloroethyl)-N-nitroso-N'-(5-nitro-1,3-thiazol-2-yl)urea

Database identifiers

CAS: 33024-33-8
PubChem CID: 97377
DTXSID: DTXSID90186680

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 149 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 313

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