tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane

C6H12N3PS — CID 5453

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IUPACtris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane
SMILESS=P(N1CC1)(N1CC1)N1CC1
InChIInChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2
InChIKeyFOCVUCIESVLUNU-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.16
Rot. Bonds3

About tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane

tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane (PubChem CID 5453) has the molecular formula C6H12N3PS and a molecular weight of 189.22 g/mol. Its IUPAC name is tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nametris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane
PubChem CID5453
Molecular FormulaC6H12N3PS
Molecular Weight189.22 g/mol
Exact Mass189.05
IUPAC Nametris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane
SMILESS=P(N1CC1)(N1CC1)N1CC1
InChIInChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2
InChIKeyFOCVUCIESVLUNU-UHFFFAOYSA-N
XLogP0.16
TPSA9.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Triethylenephosphoramide
CID 11016
Dimatif
CID 107980
Phosphinothioic amide, P,P-bis[1-aziridinyl]-N,N-dimethyl-
CID 134568
Bisazir
CID 114691
Tris(1-aziridinyl)phosphine
CID 424456
Tris(aziridin-1-yl)-selanylidene-lambda5-phosphane
CID 326017
Bis(1-aziridinyl)-phosphine
CID 53925971
Bis[(aziridin-1-yl)]phosphinothioic chloride
CID 71383883
Aziridinylsulfide
CID 87084082
Aziridine, 1,1'-(methylphosphinothioylidene)bis-
CID 167843
N-[bis(aziridin-1-yl)phosphinothioyl]-N-ethylethanamine
CID 414505
P,P-Bisaziridinyl Thiophosphate
CID 14700528

Frequently Asked Questions

What is the IUPAC name of tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane?
The IUPAC name of tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane (CID 5453) is tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane is S=P(N1CC1)(N1CC1)N1CC1.
What is the InChIKey of tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane?
The InChIKey is FOCVUCIESVLUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2.
What are the key properties of tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane?
tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane has a molecular weight of 189.22 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 5453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).