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

C11H23N2OPS2 — CID 173445437

IUPACN'-[butan-2-ylsulfanyl(propan-2-yloxy)phosphinothioyl]-N-prop-1-enylmethanimidamide
SMILESCC=CNC=NP(=S)(OC(C)C)SC(C)CC
InChIInChI=1S/C11H23N2OPS2/c1-6-8-12-9-13-15(16,14-10(3)4)17-11(5)7-2/h6,8-11H,7H2,1-5H3,(H,12,13,16)
InChIKeyNENCBMGLQSHFPB-UHFFFAOYSA-N
MW294.43 g/mol
LogP4.32
Rot. Bonds8

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

N'-[butan-2-ylsulfanyl(propan-2-yloxy)phosphinothioyl]-N-prop-1-enylmethanimidamide (PubChem CID 173445437) has the molecular formula C11H23N2OPS2 and a molecular weight of 294.43 g/mol. Its IUPAC name is N'-[butan-2-ylsulfanyl(propan-2-yloxy)phosphinothioyl]-N-prop-1-enylmethanimidamide.

Molecular Properties

Compound NameN'-[butan-2-ylsulfanyl(propan-2-yloxy)phosphinothioyl]-N-prop-1-enylmethanimidamide
PubChem CID173445437
Molecular FormulaC11H23N2OPS2
Molecular Weight294.43 g/mol
Exact Mass294.10
IUPAC NameN'-[butan-2-ylsulfanyl(propan-2-yloxy)phosphinothioyl]-N-prop-1-enylmethanimidamide
SMILESCC=CNC=NP(=S)(OC(C)C)SC(C)CC
InChIInChI=1S/C11H23N2OPS2/c1-6-8-12-9-13-15(16,14-10(3)4)17-11(5)7-2/h6,8-11H,7H2,1-5H3,(H,12,13,16)
InChIKeyNENCBMGLQSHFPB-UHFFFAOYSA-N
XLogP4.32
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 54.32
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'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide
CID 88791834
N'-[propan-2-yloxy(propylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide
CID 88791482
N'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide
CID 173445206
butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
CID 12918771
N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide
CID 117061131
potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 23699412
2-diaminophosphinothioylsulfanylhexane
CID 56627428
(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
CID 7458634
S-di(propan-2-yloxy)phosphinothioylthiohydroxylamine
CID 12638082
[(E)-but-2-enyl]-[di(propan-2-yloxy)phosphorylmethyl]-diethylazanium
CID 10971072
zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane)
CID 12896172
N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide
CID 117061132

Frequently Asked Questions

What is the IUPAC name of N'-[butan-2-ylsulfanyl(propan-2-yloxy)phosphinothioyl]-N-prop-1-enylmethanimidamide?
The IUPAC name of N'-[butan-2-ylsulfanyl(propan-2-yloxy)phosphinothioyl]-N-prop-1-enylmethanimidamide (CID 173445437) is N'-[butan-2-ylsulfanyl(propan-2-yloxy)phosphinothioyl]-N-prop-1-enylmethanimidamide.
What is the SMILES notation for N'-[butan-2-ylsulfanyl(propan-2-yloxy)phosphinothioyl]-N-prop-1-enylmethanimidamide?
The canonical SMILES for N'-[butan-2-ylsulfanyl(propan-2-yloxy)phosphinothioyl]-N-prop-1-enylmethanimidamide is CC=CNC=NP(=S)(OC(C)C)SC(C)CC.
What is the InChIKey of N'-[butan-2-ylsulfanyl(propan-2-yloxy)phosphinothioyl]-N-prop-1-enylmethanimidamide?
The InChIKey is NENCBMGLQSHFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2OPS2/c1-6-8-12-9-13-15(16,14-10(3)4)17-11(5)7-2/h6,8-11H,7H2,1-5H3,(H,12,13,16).
What are the key properties of N'-[butan-2-ylsulfanyl(propan-2-yloxy)phosphinothioyl]-N-prop-1-enylmethanimidamide?
N'-[butan-2-ylsulfanyl(propan-2-yloxy)phosphinothioyl]-N-prop-1-enylmethanimidamide has a molecular weight of 294.43 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[butan-2-ylsulfanyl(propan-2-yloxy)phosphinothioyl]-N-prop-1-enylmethanimidamide is sourced from PubChem (CID 173445437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).