2,2-dichloro-N-diaminophosphinothioylpropanamide

C3H8Cl2N3OPS — CID 56995499

IUPAC2,2-dichloro-N-diaminophosphinothioylpropanamide
SMILESCC(Cl)(Cl)C(=O)NP(N)(N)=S
InChIInChI=1S/C3H8Cl2N3OPS/c1-3(4,5)2(9)8-10(6,7)11/h1H3,(H5,6,7,8,9,11)
InChIKeyOBBLBBTWZMFJRL-UHFFFAOYSA-N
MW236.06 g/mol
LogP0.44
Rot. Bonds2

About 2,2-dichloro-N-diaminophosphinothioylpropanamide

2,2-dichloro-N-diaminophosphinothioylpropanamide (PubChem CID 56995499) has the molecular formula C3H8Cl2N3OPS and a molecular weight of 236.06 g/mol. Its IUPAC name is 2,2-dichloro-N-diaminophosphinothioylpropanamide.

Molecular Properties

Compound Name2,2-dichloro-N-diaminophosphinothioylpropanamide
PubChem CID56995499
Molecular FormulaC3H8Cl2N3OPS
Molecular Weight236.06 g/mol
Exact Mass234.95
IUPAC Name2,2-dichloro-N-diaminophosphinothioylpropanamide
SMILESCC(Cl)(Cl)C(=O)NP(N)(N)=S
InChIInChI=1S/C3H8Cl2N3OPS/c1-3(4,5)2(9)8-10(6,7)11/h1H3,(H5,6,7,8,9,11)
InChIKeyOBBLBBTWZMFJRL-UHFFFAOYSA-N
XLogP0.44
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-diaminophosphinothioylpropanamide?
The IUPAC name of 2,2-dichloro-N-diaminophosphinothioylpropanamide (CID 56995499) is 2,2-dichloro-N-diaminophosphinothioylpropanamide.
What is the SMILES notation for 2,2-dichloro-N-diaminophosphinothioylpropanamide?
The canonical SMILES for 2,2-dichloro-N-diaminophosphinothioylpropanamide is CC(Cl)(Cl)C(=O)NP(N)(N)=S.
What is the InChIKey of 2,2-dichloro-N-diaminophosphinothioylpropanamide?
The InChIKey is OBBLBBTWZMFJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8Cl2N3OPS/c1-3(4,5)2(9)8-10(6,7)11/h1H3,(H5,6,7,8,9,11).
What are the key properties of 2,2-dichloro-N-diaminophosphinothioylpropanamide?
2,2-dichloro-N-diaminophosphinothioylpropanamide has a molecular weight of 236.06 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-diaminophosphinothioylpropanamide is sourced from PubChem (CID 56995499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).