N'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide

C8H17N2OPS2 — CID 173445206

IUPACN'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\NC=NP(=S)(OC)SCCC
InChIInChI=1S/C8H17N2OPS2/c1-4-6-9-8-10-12(13,11-3)14-7-5-2/h4,6,8H,5,7H2,1-3H3,(H,9,10,13)/b6-4-
InChIKeyUVKBLGFCNHMEPC-XQRVVYSFSA-N
MW252.34 g/mol
LogP3.15
Rot. Bonds7

About N'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide

N'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide (PubChem CID 173445206) has the molecular formula C8H17N2OPS2 and a molecular weight of 252.34 g/mol. Its IUPAC name is N'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide
PubChem CID173445206
Molecular FormulaC8H17N2OPS2
Molecular Weight252.34 g/mol
Exact Mass252.05
IUPAC NameN'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\NC=NP(=S)(OC)SCCC
InChIInChI=1S/C8H17N2OPS2/c1-4-6-9-8-10-12(13,11-3)14-7-5-2/h4,6,8H,5,7H2,1-3H3,(H,9,10,13)/b6-4-
InChIKeyUVKBLGFCNHMEPC-XQRVVYSFSA-N
XLogP3.15
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.15
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'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide?
The IUPAC name of N'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide (CID 173445206) is N'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide?
The canonical SMILES for N'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide is C/C=C\NC=NP(=S)(OC)SCCC.
What is the InChIKey of N'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide?
The InChIKey is UVKBLGFCNHMEPC-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H17N2OPS2/c1-4-6-9-8-10-12(13,11-3)14-7-5-2/h4,6,8H,5,7H2,1-3H3,(H,9,10,13)/b6-4-.
What are the key properties of N'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide?
N'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide has a molecular weight of 252.34 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[methoxy(propylsulfanyl)phosphinothioyl]-N-[(Z)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 173445206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).