Nsc190763
Basic information
- CAS
17425-13-7- Standard SMILES
CCCCSC(=O)Nc1ccccc1- InChIKey
RBMBWWIPNLXVQS-UHFFFAOYSA-N- Molecular formula
- C11H15NOS
- Average molar mass
- 209.31 g/mol
- Monoisotopic mass
- 209.08743528
Names & identifiers
- Preferred name
- Nsc190763
- IUPAC
- S-butyl N-phenylcarbamothioate
- English name
- S-Butyl N-phenylthiocarbamate
- Molecular formula
- C11H15NOS
- Molecular weight
- 209.31
Names & synonyms
17425-13-7NSC190763DTXSID20307341RefChem:854834DTXCID00258468S-butyl phenylthiocarbamateS-Butyl phenylcarbamothioateMLS000104785CHEMBL1478444SCHEMBL11628030SCHEMBL17415679HMS1577O16
Show more names
S-Butyl N-phenylthiocarbamateCarbamothioic acid, N-phenyl-, S-butyl ester
HMS2316D21CCG-2118Phenyl-thiocarbamic acid butyl esterAKOS024335389NSC-190763SMR000054718SR-01000196212SR-01000196212-1
Database identifiers
- CAS
17425-13-7- PubChem CID
- 302991
- DTXSID
DTXSID20307341- ChEMBL
CHEMBL1478444- EC Number
- 667-389-2
- Nikkaji
- J1.346.975J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 69 °C · 69 °C(Solv: ethanol (64-17-5))
- Density
- 1.125 · 1.125±0.06 g/cm3(Predicted)
- pka
- 11.87 · 11.87±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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