Basic information
- CAS
13575-60-5- Standard SMILES
CCN(CC)C(=S)SCNC(=O)NCSC(=S)N(CC)CC- InChIKey
SKCIXVXNJSASNY-UHFFFAOYSA-N- Molecular formula
- C13H26N4OS4
- Average molar mass
- 382.6 g/mol
- Monoisotopic mass
- 382.09894616
Names & identifiers
- Preferred name
- Carbamodithioic acid, N,N-diethyl-, C,C'-(carbonylbis(iminomethylene)) ester
- IUPAC
- (diethylcarbamothioylsulfanylmethylcarbamoylamino)methyl N,N-diethylcarbamodithioate
Names & synonyms
13575-60-5Carbamic acid, diethyldithio-, diester with 1,3-bis(mercaptomethyl)ureaEINECS 237-009-6DTXSID2065545Carbamodithioic acid, diethyl-, carbonylbis(iminomethylene) esterCarbamodithioic acid, N,N-diethyl-, C,C'-(carbonylbis(iminomethylene)) esterCarbamodithioic acid, N,N-diethyl-, C,C'-[carbonylbis(iminomethylene)] esterRefChem:123446DTXCID2034334Diethyldithiocarbamic acid, diester with 1,3-bis(mercaptomethyl)ureaLP537SSY4BSKCIXVXNJSASNY-UHFFFAOYSA-N
Show more names
NS00024399Carbonylbis(azanediylmethylene) bis(diethylcarbamodithioate)(Carbonylbis(azanediyl))bis(methylene) bis(diethylcarbamodithioate)Urea, 1,3-bis(mercaptomethyl)-, bis(diethyldithiocarbamate) (ester)
Database identifiers
- CAS
13575-60-5- PubChem CID
- 83591
- DTXSID
DTXSID2065545- UNII
- LP537SSY4B
- EC Number
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 328
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbamodithioic acid, N,N-diethyl-, C,C'-[carbonylbis(iminomethylene)] ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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