Bas 04303640

HCID 325541

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 56910-31-7
Standard SMILES: Cc1ncc([N+](=O)[O-])n1Cc1nnc(N)s1
InChIKey: OVYDRRUWRUNBCE-UHFFFAOYSA-N
Molecular formula: C7H8N6O2S
Average molar mass: 240.25 g/mol
Monoisotopic mass: 240.04294469

Names & identifiers

Preferred name: Bas 04303640
IUPAC: 5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine

Names & synonyms

BAS 0430364056910-31-7DTXSID10315415RefChem:320949DTXCID50266538NSC294433AKOS000596330NSC-294433ST50274581AN-465/13105008SR-01000322819SR-01000322819-1

Show more names

2-amino-5-({5-nitro-2-methyl-1H-imidazol-1-yl}methyl)-1,3,4-thiadiazole5-((2-methyl-5-nitro-1h-imidazol-1-yl)methyl)-1,3,4-thiadiazole-2-amine5-[(2-Methyl-5-nitro-1H-imidazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine5-[(2-methyl-5-nitroimidazolyl)methyl]-1,3,4-thiadiazole-2-ylamine

Database identifiers

CAS: 56910-31-7
PubChem CID: 325541
DTXSID: DTXSID10315415

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 144 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 274

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…