N-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide

C8H18NOPS3 — CID 88689286

IUPACN-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide
SMILESCCOP(=S)(NC=S)SCC(C)CC
InChIInChI=1S/C8H18NOPS3/c1-4-8(3)6-14-11(13,9-7-12)10-5-2/h7-8H,4-6H2,1-3H3,(H,9,12,13)
InChIKeyWGPPKVGUCSIZHS-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.57
Rot. Bonds8

About N-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide

N-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide (PubChem CID 88689286) has the molecular formula C8H18NOPS3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide.

Molecular Properties

Compound NameN-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide
PubChem CID88689286
Molecular FormulaC8H18NOPS3
Molecular Weight271.41 g/mol
Exact Mass271.03
IUPAC NameN-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide
SMILESCCOP(=S)(NC=S)SCC(C)CC
InChIInChI=1S/C8H18NOPS3/c1-4-8(3)6-14-11(13,9-7-12)10-5-2/h7-8H,4-6H2,1-3H3,(H,9,12,13)
InChIKeyWGPPKVGUCSIZHS-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide
CID 88653750
N-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide
CID 88653940
ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 13296683
N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide
CID 88792107
N-[2-bromoprop-2-enylsulfanyl(ethoxy)phosphoryl]methanethioamide
CID 88688846
2-methyl-1-(2-methylbutoxy)butane
CID 4584641
butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
CID 12918771
(diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane
CID 12506612
potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 23699412
ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12882339
di(propan-2-yl)phosphanyl-diethoxy-sulfanylidene-λ5-phosphane
CID 23418853
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide?
The IUPAC name of N-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide (CID 88689286) is N-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide.
What is the SMILES notation for N-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide?
The canonical SMILES for N-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide is CCOP(=S)(NC=S)SCC(C)CC.
What is the InChIKey of N-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide?
The InChIKey is WGPPKVGUCSIZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NOPS3/c1-4-8(3)6-14-11(13,9-7-12)10-5-2/h7-8H,4-6H2,1-3H3,(H,9,12,13).
What are the key properties of N-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide?
N-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide has a molecular weight of 271.41 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide is sourced from PubChem (CID 88689286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).