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'}

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Related Compounds

2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine
CID 523210
2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine
CID 134217980
N,N-dimethyl-2-trimethylstannylsulfanylethanamine
CID 23279046
CID 88826921
CID 88826921
CID 173338058
CID 173338058
CID 175787026
CID 175787026
3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine
CID 21133537
buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine
CID 160608362
N,N,N',N'-tetramethylethane-1,2-diamine;tin(2+);dichloride
CID 174892768
copper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dihydrochloride
CID 173046939
N,N-dimethyl-4-methylsulfanylbutan-1-amine
CID 54463978
2-cyclobutylsulfanyl-N,N-dimethylethanamine
CID 126992283

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).