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O-Ethyl bis[(aziridin-1-yl)]phosphinothioate

HCID 413079
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Basic information

CAS
3677-97-2
Standard SMILES
CCOP(=S)(N1CC1)N1CC1
InChIKey
ZIJKPYBWMSDUOS-UHFFFAOYSA-N
Molecular formula
C6H13N2OPS
Average molar mass
192.22 g/mol
Monoisotopic mass
192.04862121

Names & identifiers

Preferred name
O-Ethyl bis[(aziridin-1-yl)]phosphinothioate
IUPAC
bis(aziridin-1-yl)-ethoxy-sulfanylidene-λ5-phosphane

Names & synonyms

3677-97-2NSC44632O-Ethyl bis[(aziridin-1-yl)]phosphinothioateDTXSID50328680NSC-44632O-Ethyl bis(aziridin-1-yl)phosphinothioate

Database identifiers

CAS
3677-97-2
PubChem CID
413079
DTXSID
DTXSID50328680

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
47.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
11
Formal charge
0
Complexity
187

Related reactions

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Compound notes

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