Abol-X
Basic information
- CAS
107959-15-9- Standard SMILES
COP(=S)(OC)SCc1nc(N)nc(N)n1.ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl- InChIKey
HILBFYBSIOQXBC-UHFFFAOYSA-N- Molecular formula
- C12H18Cl6N5O2PS2
- Average molar mass
- 572.1 g/mol
- Monoisotopic mass
- 568.87707
Names & identifiers
- Preferred name
- Abol-X
- IUPAC
- 6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine;1,2,3,4,5,6-hexachlorocyclohexane
- English name
- Phosphorodithioic acid, S-((4,6-diamino-1,3,5-triazin-2-yl)methyl) O,O -dimethyl ester, mixt. with (1alpha,2alpha,3beta,4alpha,5alpha,6beta)- 1,2,3,4,5,6-hexachlorocyclohexane
- Molecular formula
- C12H18Cl6N5O2PS2
- Molecular weight
- 572.125381
Names & synonyms
Abol-X107959-15-9DTXSID409105936-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine;1,2,3,4,5,6-hexachlorocyclohexanePhosphorodithioic acid, S-((4,6-diamino-1,3,5-triazin-2-yl)methyl) O,O-dimethyl ester, mixt. with (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexanePhosphorodithioic acid, S-[(4,6-diamino-1,3,5-triazin-2-yl)methyl] O,O-dimethyl ester, mixt. with (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-1,2,3,4,5,6-hexachlorocyclohexaneS-[(4,6-Diimino-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)methyl] O,O-dimethyl phosphorodithioate--1,2,3,4,5,6-hexachlorocyclohexane (1/1)Phosphorodithioic acid, S-((4,6-diamino-1,3,5-triazin-2-yl)methyl) O,O -dimethyl ester, mixt. with (1alpha,2alpha,3beta,4alpha,5alpha,6beta)- 1,2,3,4,5,6-hexachlorocyclohexane
Database identifiers
- CAS
107959-15-9- PubChem CID
- 147144
- DTXSID
DTXSID40910593
Properties
Computed structural properties
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- EPA Substance Registry System
- 4 · Phosphorodithioic acid, S-[(4,6-diamino-1,3,5-triazin-2-yl)methyl] O,O-dimethyl ester, mixt. with (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-1,2,3,4,5,6-hexachlorocyclohexane (107959-15-9)
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