N-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide

C8H18NOPS3 — CID 88653750

IUPACN-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide
SMILESCCOP(=S)(NC=S)SCC(C)(C)C
InChIInChI=1S/C8H18NOPS3/c1-5-10-11(13,9-7-12)14-6-8(2,3)4/h7H,5-6H2,1-4H3,(H,9,12,13)
InChIKeyGDEYTUDTMGBMTD-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.57
Rot. Bonds6

About N-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide

N-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide (PubChem CID 88653750) has the molecular formula C8H18NOPS3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide.

Molecular Properties

Compound NameN-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide
PubChem CID88653750
Molecular FormulaC8H18NOPS3
Molecular Weight271.41 g/mol
Exact Mass271.03
IUPAC NameN-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide
SMILESCCOP(=S)(NC=S)SCC(C)(C)C
InChIInChI=1S/C8H18NOPS3/c1-5-10-11(13,9-7-12)14-6-8(2,3)4/h7H,5-6H2,1-4H3,(H,9,12,13)
InChIKeyGDEYTUDTMGBMTD-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide
CID 88689286
N-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide
CID 88653940
N-[2-bromoprop-2-enylsulfanyl(ethoxy)phosphoryl]methanethioamide
CID 88688846
tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
CID 23447087
chloro-diethoxy-sulfanylidene-λ5-phosphane
CID 160646785
chloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane
CID 22129496
(diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane
CID 12506612
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033
N'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide
CID 54130221
N-diethoxyphosphinothioylmethanamine
CID 759370
N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide
CID 88792107
ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane;nickel(2+)
CID 21151066

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide?
The IUPAC name of N-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide (CID 88653750) is N-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide.
What is the SMILES notation for N-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide?
The canonical SMILES for N-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide is CCOP(=S)(NC=S)SCC(C)(C)C.
What is the InChIKey of N-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide?
The InChIKey is GDEYTUDTMGBMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NOPS3/c1-5-10-11(13,9-7-12)14-6-8(2,3)4/h7H,5-6H2,1-4H3,(H,9,12,13).
What are the key properties of N-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide?
N-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide has a molecular weight of 271.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide is sourced from PubChem (CID 88653750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).