Basic information
- CAS
60431-65-4- Standard SMILES
O=[N+]([O-])c1ccc(NCn2c(=S)sc3ccccc32)cc1- InChIKey
UTKZLNADJQUIFU-UHFFFAOYSA-N- Molecular formula
- C14H11N3O2S2
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.02926895
Names & identifiers
- Preferred name
- 3-(4-Nitroanilinomethyl)-2(3H)-benzothiazolethione
- IUPAC
- 3-[(4-nitroanilino)methyl]-1,3-benzothiazole-2-thione
- English name
- 3-[(p-Nitroanilino)methyl]-2-benzothiazolinethione
- Molecular formula
- C14H11N3O2S2
- Molecular weight
- 317.39
Names & synonyms
3-(4-NITROANILINOMETHYL)-2(3H)-BENZOTHIAZOLETHIONERefChem:493358654-364-62(3h)-benzothiazolethione, 3-[[(4-nitrophenyl)amino]methyl]-60431-65-4NSC875953-[(4-nitroanilino)methyl]-1,3-benzothiazole-2-thioneDTXSID50293167NSC-87595AKOS0243324862-Benzothiazolinethione, 3-(4-nitrophenylaminomethyl)-3-[(4-Nitroanilino)methyl]-1,3-benzothiazole-2(3H)-thione
Show more names
3-[(p-Nitroanilino)methyl]-2-benzothiazolinethione
Database identifiers
- CAS
60431-65-4- PubChem CID
- 258554
- DTXSID
DTXSID50293167- EC Number
- 654-364-6
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
PFALTZ-BAUER[email protected]
ASDI-INTER[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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