(5-Nitrofuran-2-yl)methyl carbamimidothioate hydrobromide
Basic information
- CAS
82118-18-1- Standard SMILES
Br.N=C(N)SCc1ccc([N+](=O)[O-])o1- InChIKey
NTIKNUAJKOAYOO-UHFFFAOYSA-N- Molecular formula
- C6H8BrN3O3S
- Average molar mass
- 282.12 g/mol
- Monoisotopic mass
- 280.94697
Names & identifiers
- Preferred name
- (5-Nitrofuran-2-yl)methyl carbamimidothioate hydrobromide
- IUPAC
- (5-nitrofuran-2-yl)methyl carbamimidothioate;hydrobromide
- English name
- (5-Nitro-2-furyl)methyl aminomethanimidothioate hydrobromide
- Molecular formula
- C6H8BrN3O3S
- Molecular weight
- 282.12
Names & synonyms
82118-18-1(5-Nitrofuran-2-yl)methyl carbamimidothioate hydrobromide(5-nitro-2-furyl)methyl aminomethanimidothioate hydrobromide(5-nitrofuran-2-yl)methyl carbamimidothioate;hydrobromideMFCD00084866(5-NITRO-2-FURYL)METHYL IMIDOTHIOCARBAMATE HYDROBROMIDEC6H8BrN3O3SCHEMBL3781818DTXSID70384324CCG-51733SBB117303AKOS015969222
Show more names
SALOR-INT L307378-1EA2-Amidinothiomethyl-5-nitrofuran hydrobromidecarbamimidothioic acid (5-nitro-2-furanyl)methyl ester hydrobromide
DB-056574SR-01000641017-12-[(5-nitro-2-furyl)methyl]isothiourea hydrobromide2-[(5-nitro-2-furyl)methyl]isothiourea;hydrobromide(5-Nitrofuran-2-yl)methylcarbamimidothioatehydrobromide(5-Nitro-2-furyl)methyl aminomethanimidothioatehydrobromide{[(5-nitrofuran-2-yl)methyl]sulfanyl}methanimidamide hydrobromide(5-Nitrofuran-2-yl)methyl carbamimidothioate--hydrogen bromide (1/1)
Database identifiers
- CAS
82118-18-1- PubChem CID
- 2801769
- DTXSID
DTXSID70384324- ChEMBL
CHEMBL3781818
Properties
Computed structural properties
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 183 °C · 183 °C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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