1-[chloro(sulfido)phosphinothioyl]-N,N-dimethylpyridin-1-ium-4-amine

C7H10ClN2PS2 — CID 15628430

IUPAC1-[chloro(sulfido)phosphinothioyl]-N,N-dimethylpyridin-1-ium-4-amine
SMILESCN(C)c1cc[n+](P(=S)([S-])Cl)cc1
InChIInChI=1S/C7H10ClN2PS2/c1-9(2)7-3-5-10(6-4-7)11(8,12)13/h3-6H,1-2H3
InChIKeyRISKNXYKIOOIGU-UHFFFAOYSA-N
MW252.73 g/mol
LogP1.90
Rot. Bonds2

About 1-[chloro(sulfido)phosphinothioyl]-N,N-dimethylpyridin-1-ium-4-amine

1-[chloro(sulfido)phosphinothioyl]-N,N-dimethylpyridin-1-ium-4-amine (PubChem CID 15628430) has the molecular formula C7H10ClN2PS2 and a molecular weight of 252.73 g/mol. Its IUPAC name is 1-[chloro(sulfido)phosphinothioyl]-N,N-dimethylpyridin-1-ium-4-amine.

Molecular Properties

Compound Name1-[chloro(sulfido)phosphinothioyl]-N,N-dimethylpyridin-1-ium-4-amine
PubChem CID15628430
Molecular FormulaC7H10ClN2PS2
Molecular Weight252.73 g/mol
Exact Mass251.97
IUPAC Name1-[chloro(sulfido)phosphinothioyl]-N,N-dimethylpyridin-1-ium-4-amine
SMILESCN(C)c1cc[n+](P(=S)([S-])Cl)cc1
InChIInChI=1S/C7H10ClN2PS2/c1-9(2)7-3-5-10(6-4-7)11(8,12)13/h3-6H,1-2H3
InChIKeyRISKNXYKIOOIGU-UHFFFAOYSA-N
XLogP1.90
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[chloro(sulfido)phosphinothioyl]-N,N-dimethylpyridin-1-ium-4-amine?
The IUPAC name of 1-[chloro(sulfido)phosphinothioyl]-N,N-dimethylpyridin-1-ium-4-amine (CID 15628430) is 1-[chloro(sulfido)phosphinothioyl]-N,N-dimethylpyridin-1-ium-4-amine.
What is the SMILES notation for 1-[chloro(sulfido)phosphinothioyl]-N,N-dimethylpyridin-1-ium-4-amine?
The canonical SMILES for 1-[chloro(sulfido)phosphinothioyl]-N,N-dimethylpyridin-1-ium-4-amine is CN(C)c1cc[n+](P(=S)([S-])Cl)cc1.
What is the InChIKey of 1-[chloro(sulfido)phosphinothioyl]-N,N-dimethylpyridin-1-ium-4-amine?
The InChIKey is RISKNXYKIOOIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN2PS2/c1-9(2)7-3-5-10(6-4-7)11(8,12)13/h3-6H,1-2H3.
What are the key properties of 1-[chloro(sulfido)phosphinothioyl]-N,N-dimethylpyridin-1-ium-4-amine?
1-[chloro(sulfido)phosphinothioyl]-N,N-dimethylpyridin-1-ium-4-amine has a molecular weight of 252.73 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(sulfido)phosphinothioyl]-N,N-dimethylpyridin-1-ium-4-amine is sourced from PubChem (CID 15628430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).