N-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine

C12H29N2PS2 — CID 2361198

IUPACN-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine
SMILESCCCCSP(=S)(N(CC)CC)N(CC)CC
InChIInChI=1S/C12H29N2PS2/c1-6-11-12-17-15(16,13(7-2)8-3)14(9-4)10-5/h6-12H2,1-5H3
InChIKeyFBFPKSQMXPTXLM-UHFFFAOYSA-N
MW296.49 g/mol
LogP4.43
Rot. Bonds10

About N-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine

N-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine (PubChem CID 2361198) has the molecular formula C12H29N2PS2 and a molecular weight of 296.49 g/mol. Its IUPAC name is N-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine
PubChem CID2361198
Molecular FormulaC12H29N2PS2
Molecular Weight296.49 g/mol
Exact Mass296.15
IUPAC NameN-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine
SMILESCCCCSP(=S)(N(CC)CC)N(CC)CC
InChIInChI=1S/C12H29N2PS2/c1-6-11-12-17-15(16,13(7-2)8-3)14(9-4)10-5/h6-12H2,1-5H3
InChIKeyFBFPKSQMXPTXLM-UHFFFAOYSA-N
XLogP4.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane
CID 15055139
dichloro-pentylsulfanyl-sulfanylidene-lambda5-phosphane
CID 15833782
dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
CID 21217456
copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 141062183
butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane
CID 57280787
butylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane
CID 21391639
bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)
CID 162208219
potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 88816879
1-[chloro(ethyl)phosphoryl]sulfanylbutane
CID 20555802
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane
CID 174981933

Frequently Asked Questions

What is the IUPAC name of N-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine?
The IUPAC name of N-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine (CID 2361198) is N-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine.
What is the SMILES notation for N-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine?
The canonical SMILES for N-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine is CCCCSP(=S)(N(CC)CC)N(CC)CC.
What is the InChIKey of N-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine?
The InChIKey is FBFPKSQMXPTXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N2PS2/c1-6-11-12-17-15(16,13(7-2)8-3)14(9-4)10-5/h6-12H2,1-5H3.
What are the key properties of N-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine?
N-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine has a molecular weight of 296.49 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine is sourced from PubChem (CID 2361198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).