(1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride

C6H13ClNO3PS — CID 134984107

IUPAC(1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride
SMILESCCOP(=S)(OCC)O/N=C(/C)Cl
InChIInChI=1S/C6H13ClNO3PS/c1-4-9-12(13,10-5-2)11-8-6(3)7/h4-5H2,1-3H3/b8-6-
InChIKeyDBVCWFIEOBFGON-VURMDHGXSA-N
MW245.67 g/mol
LogP2.87
Rot. Bonds6

About (1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride

(1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride (PubChem CID 134984107) has the molecular formula C6H13ClNO3PS and a molecular weight of 245.67 g/mol. Its IUPAC name is (1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride
PubChem CID134984107
Molecular FormulaC6H13ClNO3PS
Molecular Weight245.67 g/mol
Exact Mass245.00
IUPAC Name(1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride
SMILESCCOP(=S)(OCC)O/N=C(/C)Cl
InChIInChI=1S/C6H13ClNO3PS/c1-4-9-12(13,10-5-2)11-8-6(3)7/h4-5H2,1-3H3/b8-6-
InChIKeyDBVCWFIEOBFGON-VURMDHGXSA-N
XLogP2.87
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(diethoxyphosphoryloxy)ethanimidoylchloride
CID 85552833
(1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride
CID 134985125
(1Z)-N-[ethoxy(methyl)phosphoryl]oxyethanimidoyl chloride
CID 134985126
N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride
CID 23417981

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride?
The IUPAC name of (1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride (CID 134984107) is (1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride.
What is the SMILES notation for (1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride?
The canonical SMILES for (1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride is CCOP(=S)(OCC)O/N=C(/C)Cl.
What is the InChIKey of (1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride?
The InChIKey is DBVCWFIEOBFGON-VURMDHGXSA-N. The full InChI is InChI=1S/C6H13ClNO3PS/c1-4-9-12(13,10-5-2)11-8-6(3)7/h4-5H2,1-3H3/b8-6-.
What are the key properties of (1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride?
(1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride has a molecular weight of 245.67 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride is sourced from PubChem (CID 134984107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).