2-(4-Nitrophenyl)thioacetamide

HCID 2777337

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Basic information

CAS: 76254-70-1
Standard SMILES: NC(=S)Cc1ccc([N+](=O)[O-])cc1
InChIKey: NTDKSXYIORROEJ-UHFFFAOYSA-N
Molecular formula: C8H8N2O2S
Average molar mass: 196.23 g/mol
Monoisotopic mass: 196.0306485

Names & identifiers

Preferred name: 2-(4-Nitrophenyl)thioacetamide
IUPAC: 2-(4-nitrophenyl)ethanethioamide
English name: 2-(4-Nitrophenyl)ethanethioamide
Molecular formula: C8H8N2O2S
Molecular weight: 196.23

Names & synonyms

2-(4-Nitrophenyl)thioacetamideRefChem:458250641-283-62-(4-nitrophenyl)ethanethioamide76254-70-1MFCD00278445Benzeneethanethioamide,4-nitro-2-(4-Nitrophenyl)ethane thioamide(4-Nitrophenyl)ethanethioamideSCHEMBL18293142-(4-nitrophenyl)-thioacetamideBenzeneethanethioamide, 4-nitro-

Show more names

2-(4-Nitrophenyl)ethanethioamide, 4-(2-Amino-2-thioxoethyl)nitrobenzene

DTXSID10380481NTDKSXYIORROEJ-UHFFFAOYSA-NSBB092018AKOS006229043PS-43321-amino-2-(4-nitrophenyl)ethane-1-thioneDB-075092CS-0355795

Database identifiers

CAS: 76254-70-1
PubChem CID: 2777337
DTXSID: DTXSID10380481
EC Number: 641-283-6
Nikkaji: J458.327B

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 104 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 207

Physicochemical properties

storage temp.: Store at room temperature
form: crystalline solid
color: Brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H302+H312+H332-H315
Precautionary statements: 280 · P280-P301+P312-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+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.