p,p'-Bis(1-azirinyl)-N-(3-methoxypropyl)phosphinothioic amide

HCID 96320

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Basic information

CAS: 13687-10-0
Standard SMILES: COCCCNP(=S)(N1CC1)N1CC1
InChIKey: OHWSJCMFFZZEAZ-UHFFFAOYSA-N
Molecular formula: C8H18N3OPS
Average molar mass: 235.29 g/mol
Monoisotopic mass: 235.09082038

Names & identifiers

Preferred name: p,p'-Bis(1-azirinyl)-N-(3-methoxypropyl)phosphinothioic amide
IUPAC: N-[bis(aziridin-1-yl)phosphinothioyl]-3-methoxypropan-1-amine

Names & synonyms

Phosphinothioic amide, P,P-bis(1-aziridinyl)-N-(3-methoxypropyl)-13687-10-0p,p'-Bis(1-azirinyl)-N-(3-methoxypropyl)phosphinothioic amideRefChem:169245ThioampacNSC-67104Thio ampacN-[bis(aziridin-1-yl)phosphinothioyl]-3-methoxypropan-1-amineW2Q4UR3ERLNCIOpen2_003110SCHEMBL29469731DTXSID10929571

Show more names

NSC67104NSC 67104AI3-50981P,P-Bis(1-aziridinyl)-N-(3-methoxypropyl)phosphinothioic amidePhosphinothioic amide,P-bis(1-aziridinyl)-N-(3-methoxypropyl)-P,P-Bis(aziridin-1-yl)-N-(3-methoxypropyl)phosphinothioic amideP,P-Bis[(aziridin-1-yl)]-N-(3-methoxypropyl)phosphinothioic amide

Database identifiers

CAS: 13687-10-0
PubChem CID: 96320
DTXSID: DTXSID10929571
UNII: W2Q4UR3ERL

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 59.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 14
Formal charge: 0
Complexity: 227

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