Basic information
- CAS
38750-73-1- Standard SMILES
Cc1ccc(SC(=S)Nc2ccccc2)cc1- InChIKey
TUVQKITVFXKNBO-UHFFFAOYSA-N- Molecular formula
- C14H13NS2
- Average molar mass
- 259.4 g/mol
- Monoisotopic mass
- 259.04894177
Names & identifiers
- Preferred name
- P-Tolyl N-phenyldithiocarbamate
- IUPAC
- (4-methylphenyl) N-phenylcarbamodithioate
- English name
- p-Tolyl N-phenyldithiocarbamate
- Molecular formula
- C14H13NS2
- Molecular weight
- 259.39
Names & synonyms
P-TOLYL N-PHENYLDITHIOCARBAMATERefChem:85823938750-73-1660-202-5SCHEMBL1520756AKOS024338543Carbamodithioic acid, N-phenyl-, 4-methylphenyl ester
Database identifiers
- CAS
38750-73-1- PubChem CID
- 4657354
- EC Number
- 660-202-5
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 392.3 · 392.3±35.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 10.33 · 10.33±0.70(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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