Basic information
- CAS
3311-98-6- Standard SMILES
O=C(NCCCl)Nc1ncc([N+](=O)[O-])s1- InChIKey
DDSHNCNZUCXDDV-UHFFFAOYSA-N- Molecular formula
- C6H7ClN4O3S
- Average molar mass
- 250.66 g/mol
- Monoisotopic mass
- 249.992739
Names & identifiers
- Preferred name
- Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)-
- IUPAC
- 1-(2-chloroethyl)-3-(5-nitro-1,3-thiazol-2-yl)urea
Names & synonyms
3311-98-6N-(2-Chloroethyl)-N'-(5-nitro-2-thiazolyl)ureaBa 30515CCRIS 5716Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)-NSC 91657BRN 0540804DTXSID60186778Urea, 1-(2-chloroethyl)-3-(5-nitro-2-thiazolyl)-RefChem:387982DTXCID00109269Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)-(9CI)
Show more names
NSC-916571-(2-chloroethyl)-3-(5-nitro-1,3-thiazol-2-yl)ureaC93FC7C7Z4Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)- (9CI)Ba30515NSC91657Ba-30515Urea, N-2-chloroethyl-N'-(5-nitrothiazol-2-yl)-
Database identifiers
- CAS
3311-98-6- PubChem CID
- 96884
- DTXSID
DTXSID60186778- UNII
- C93FC7C7Z4
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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