Basic information
- CAS
150-11-8- Standard SMILES
CCCCN(CCCC)C(=S)S- InChIKey
SZRLKIKBPASKQH-UHFFFAOYSA-N- Molecular formula
- C9H19NS2
- Average molar mass
- 205.4 g/mol
- Monoisotopic mass
- 205.09589196
Overview
Dibutyldithiocarbamic acid is a member of the class of dithiocarbamic acids that is dibutylcarbamic acid in which both of the oxygens are replaced by sulfur. It is a conjugate acid of a dibutyldithiocarbamate.
Names & identifiers
- Preferred name
- Dibutyldithiocarbamic acid
- IUPAC
- dibutylcarbamodithioic acid
- English name
- Dibutyldithiocarbamic acid
- Molecular formula
- C9H19NS2
- Molecular weight
- 205.38
Names & synonyms
Dibutylcarbamodithioic acidDibutyldithiocarbamic acid150-11-8Carbamodithioic acid, dibutyl-Carbamic acid, dibutyldithio-N,N-Dibutyldithiocarbamic acidBZ (ACCELERATORR7455206G0CHEBI:144349N,N-DIBUTYLDITHIOCARBAMIC ACCARBAMODITHIOIC ACID, N,N-DIBUTYL-RefChem:586564
Show more names
813-249-2N,N-Dibutylcarbamodithioic acid22914-74-5UNII-R7455206G0Dibutylcarbadithioic aciddibutyl dithiocarbamic acidSCHEMBL244470CHEMBL2027996
Database identifiers
- CAS
150-11-8、22914-74-5- PubChem CID
- 8685
- DTXSID
DTXSID8045018- ChEMBL
CHEMBL2027996- ChEBI
CHEBI:144349- UNII
- R7455206G0
- EC Number
- 813-249-2
- Nikkaji
- J23.409E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Boiling point
- 257.7 · 257.7±23.0 °C(Predicted)
- Density
- 1.009 · 1.009±0.06 g/cm3(Predicted)
- pka
- 3.36 · 3.36±0.26(Predicted)
- Indirect Additives used in Food Contact Substances
- DIBUTYLDITHIOCARBAMIC ACID
- FDA 21 CFR
- 177.26 · 177.2600
- FDA UNII
- 7455206 G0 · R7455206G0
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Suppliers4 total
南京大唐医药科技有限公司025-84341491 13951930983 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Additional notes
DefinitionChEBI: Dibutyldithiocarbamic acid is a member of the class of dithiocarbamic acids that is dibutylcarbamic acid in which both of the oxygens are replaced by sulfur. It is a conjugate acid of a dibutyldithiocarbamate.
Related reactions
1 records
Compound notes
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