2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine

C9H23N2PS3 — CID 546924

IUPAC2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine
SMILESCN(C)CCSP(C)(=S)SCCN(C)C
InChIInChI=1S/C9H23N2PS3/c1-10(2)6-8-14-12(5,13)15-9-7-11(3)4/h6-9H2,1-5H3
InChIKeyKMDSMBCHZRTUFX-UHFFFAOYSA-N
MW286.47 g/mol
LogP2.52
Rot. Bonds8

About 2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine

2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine (PubChem CID 546924) has the molecular formula C9H23N2PS3 and a molecular weight of 286.47 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine
PubChem CID546924
Molecular FormulaC9H23N2PS3
Molecular Weight286.47 g/mol
Exact Mass286.08
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine
SMILESCN(C)CCSP(C)(=S)SCCN(C)C
InChIInChI=1S/C9H23N2PS3/c1-10(2)6-8-14-12(5,13)15-9-7-11(3)4/h6-9H2,1-5H3
InChIKeyKMDSMBCHZRTUFX-UHFFFAOYSA-N
XLogP2.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine (CID 546924) is 2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine is CN(C)CCSP(C)(=S)SCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine?
The InChIKey is KMDSMBCHZRTUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N2PS3/c1-10(2)6-8-14-12(5,13)15-9-7-11(3)4/h6-9H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine?
2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine has a molecular weight of 286.47 g/mol, XLogP of 2.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 546924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).