Basic information
- CAS
256529-47-2- Standard SMILES
NC(=S)c1sccc1Br- InChIKey
LJHCNGDJUDDXLP-UHFFFAOYSA-N- Molecular formula
- C5H4BrNS2
- Average molar mass
- 222.1 g/mol
- Monoisotopic mass
- 220.89685
Names & identifiers
- Preferred name
- 3-Bromothiophene-2-carbothioamide
- IUPAC
- 3-bromothiophene-2-carbothioamide
- English name
- 3-BROMOTHIOPHENE-2-CARBOTHIOAMIDE
- Molecular formula
- C5H4BrNS2
- Molecular weight
- 222.13
Names & synonyms
3-bromothiophene-2-carbothioamide256529-47-2DTXSID80372373RefChem:499426DTXCID20323405100-009-0HMS563I15MFCD01764738Maybridge1_007759SBB096258CCG-250607amino(3-bromo(2-thienyl))methane-1-thione
Show more names
3-Bromo-2-thiophenecarbothioamide2-Thiophenecarbothioamide, 3-bromo-
CS-0247376EN300-365219BRD-K72345562-001-01-5
Database identifiers
- CAS
256529-47-2- PubChem CID
- 2740366
- DTXSID
DTXSID80372373- EC Number
- 100-009-0
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 324.1 · 324.1±52.0 °C(Predicted)
- Density
- 1.825 · 1.825±0.06 g/cm3(Predicted)
- pka
- 12.07 · 12.07±0.29(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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