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

C10H21N2OPS2 — CID 88791834

IUPACN'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide
SMILESCC=CN/C=N/P(=S)(OC(C)C)SC(C)C
InChIInChI=1S/C10H21N2OPS2/c1-6-7-11-8-12-14(15,13-9(2)3)16-10(4)5/h6-10H,1-5H3,(H,11,12,15)
InChIKeyOCOHCLKRWTYAGI-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.93
Rot. Bonds7

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

N'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide (PubChem CID 88791834) has the molecular formula C10H21N2OPS2 and a molecular weight of 280.40 g/mol. Its IUPAC name is N'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide.

Molecular Properties

Compound NameN'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide
PubChem CID88791834
Molecular FormulaC10H21N2OPS2
Molecular Weight280.40 g/mol
Exact Mass280.08
IUPAC NameN'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide
SMILESCC=CN/C=N/P(=S)(OC(C)C)SC(C)C
InChIInChI=1S/C10H21N2OPS2/c1-6-7-11-8-12-14(15,13-9(2)3)16-10(4)5/h6-10H,1-5H3,(H,11,12,15)
InChIKeyOCOHCLKRWTYAGI-UHFFFAOYSA-N
XLogP3.93
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide?
The IUPAC name of N'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide (CID 88791834) is N'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide.
What is the SMILES notation for N'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide?
The canonical SMILES for N'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide is CC=CN/C=N/P(=S)(OC(C)C)SC(C)C.
What is the InChIKey of N'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide?
The InChIKey is OCOHCLKRWTYAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2OPS2/c1-6-7-11-8-12-14(15,13-9(2)3)16-10(4)5/h6-10H,1-5H3,(H,11,12,15).
What are the key properties of N'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide?
N'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide has a molecular weight of 280.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[propan-2-yloxy(propan-2-ylsulfanyl)phosphinothioyl]-N-prop-1-enylmethanimidamide is sourced from PubChem (CID 88791834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).