N'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide

C10H21N2OPS2 — CID 88791482

IUPACN'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide
SMILESCC=CN/C=N/P(=S)(OC(C)C)SCCC
InChIInChI=1S/C10H21N2OPS2/c1-5-7-11-9-12-14(15,13-10(3)4)16-8-6-2/h5,7,9-10H,6,8H2,1-4H3,(H,11,12,15)
InChIKeyUJWGKDARVFPFLS-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.93
Rot. Bonds8

About N'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide

N'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide (PubChem CID 88791482) has the molecular formula C10H21N2OPS2 and a molecular weight of 280.40 g/mol. Its IUPAC name is N'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide.

Molecular Properties

Compound NameN'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide
PubChem CID88791482
Molecular FormulaC10H21N2OPS2
Molecular Weight280.40 g/mol
Exact Mass280.08
IUPAC NameN'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide
SMILESCC=CN/C=N/P(=S)(OC(C)C)SCCC
InChIInChI=1S/C10H21N2OPS2/c1-5-7-11-9-12-14(15,13-10(3)4)16-8-6-2/h5,7,9-10H,6,8H2,1-4H3,(H,11,12,15)
InChIKeyUJWGKDARVFPFLS-UHFFFAOYSA-N
XLogP3.93
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide
CID 173445206
N'-[butan-2-ylsulfanyl(propan-2-yloxy)phosphinothioyl]-N-prop-1-enylmethanimidamide
CID 173445437
N'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide
CID 88791834
N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide
CID 88792107
methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane
CID 21116234
bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 101005346
S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine
CID 12638082
methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate
CID 101152507
[propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate
CID 22497472
ethoxy-[(2-propan-2-yl-6-propan-2-yloxypyrimidin-4-yl)methoxy]-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 88699391
[(E)-but-2-enyl]-[di(propan-2-yloxy)phosphorylmethyl]-diethylazanium
CID 10971072
3-[bis[1-[bis[1-di(propan-2-yloxy)phosphinothioylsulfanylpropan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoic acid
CID 122658943

Frequently Asked Questions

What is the IUPAC name of N'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide?
The IUPAC name of N'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide (CID 88791482) is N'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide.
What is the SMILES notation for N'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide?
The canonical SMILES for N'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide is CC=CN/C=N/P(=S)(OC(C)C)SCCC.
What is the InChIKey of N'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide?
The InChIKey is UJWGKDARVFPFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2OPS2/c1-5-7-11-9-12-14(15,13-10(3)4)16-8-6-2/h5,7,9-10H,6,8H2,1-4H3,(H,11,12,15).
What are the key properties of N'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide?
N'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide has a molecular weight of 280.40 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide is sourced from PubChem (CID 88791482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).