Hexamethylenedithiocarbamic acid
Basic information
- CAS
874-56-6- Standard SMILES
S=C(S)N1CCCCCC1- InChIKey
IULVMSRZVAOLEB-UHFFFAOYSA-N- Molecular formula
- C7H13NS2
- Average molar mass
- 175.3 g/mol
- Monoisotopic mass
- 175.04894177
Overview
used for the simultaneous determination of Ni, Pb, Zn & Cu in citrus leaves & rice flour
Names & identifiers
- Preferred name
- Hexamethylenedithiocarbamic acid
- IUPAC
- azepane-1-carbodithioic acid
- English name
- hexamethylenedithiocarbamic acid
- Molecular weight
- 0
Names & synonyms
874-56-6Hexamethylenedithiocarbamic acidDTXSID20236324RefChem:146085DTXCID20158815azepane-1-carbodithioic acid1H-Azepine-1-carbodithioic acid, hexahydro-HexamethylenedithiocarbamateNSC378687azepane-1-carbodithioicacidSCHEMBL6040453SCHEMBL11382430
Show more names
HexamethylendithiocarbamateHexahydro-1H-azepine-1-carbodithioic acid
EN300-817758
Database identifiers
- CAS
874-56-6- PubChem CID
- 70125
- DTXSID
DTXSID20236324- Nikkaji
- J254.821F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 117
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Related reactions
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Compound notes
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