[chloro(methoxy)phosphoryl]methanethial

C2H4ClO2PS — CID 22363595

IUPAC[chloro(methoxy)phosphoryl]methanethial
SMILESCOP(=O)(Cl)C=S
InChIInChI=1S/C2H4ClO2PS/c1-5-6(3,4)2-7/h2H,1H3
InChIKeyQZUNAYDGBIFVLI-UHFFFAOYSA-N
MW158.55 g/mol
LogP2.02
Rot. Bonds2

About [chloro(methoxy)phosphoryl]methanethial

[chloro(methoxy)phosphoryl]methanethial (PubChem CID 22363595) has the molecular formula C2H4ClO2PS and a molecular weight of 158.55 g/mol. Its IUPAC name is [chloro(methoxy)phosphoryl]methanethial.

Molecular Properties

Compound Name[chloro(methoxy)phosphoryl]methanethial
PubChem CID22363595
Molecular FormulaC2H4ClO2PS
Molecular Weight158.55 g/mol
Exact Mass157.94
IUPAC Name[chloro(methoxy)phosphoryl]methanethial
SMILESCOP(=O)(Cl)C=S
InChIInChI=1S/C2H4ClO2PS/c1-5-6(3,4)2-7/h2H,1H3
InChIKeyQZUNAYDGBIFVLI-UHFFFAOYSA-N
XLogP2.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.55
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[chloro(methyl)phosphoryl]oxymethane
CID 11499216
1-[chloro(methoxy)phosphoryl]-2-methylpropan-1-one
CID 134993422
1-dimethoxyphosphorylethene;methanol
CID 174918241
(E)-1-dimethoxyphosphoryl-2-methoxyethene
CID 24974578
chloromethyl dimethyl phosphate
CID 88544336
ethenyl(methoxy)phosphinic acid
CID 19693452
[chloro(methoxy)phosphoryl]-fluoromethane
CID 86095983
(1E)-1-chloro-2-dimethoxyphosphorylbuta-1,3-diene
CID 15564798
[chloro(methyl)phosphoryl]peroxymethane
CID 141034633
N-[chloro(methoxy)phosphoryl]-N-propan-2-ylpropan-2-amine
CID 15098181
methyl dihydrogen phosphate;prop-2-enoic acid
CID 159593084
ethenyl(methoxy)phosphinic acid;ethenylphosphonic acid
CID 158810817

Frequently Asked Questions

What is the IUPAC name of [chloro(methoxy)phosphoryl]methanethial?
The IUPAC name of [chloro(methoxy)phosphoryl]methanethial (CID 22363595) is [chloro(methoxy)phosphoryl]methanethial.
What is the SMILES notation for [chloro(methoxy)phosphoryl]methanethial?
The canonical SMILES for [chloro(methoxy)phosphoryl]methanethial is COP(=O)(Cl)C=S.
What is the InChIKey of [chloro(methoxy)phosphoryl]methanethial?
The InChIKey is QZUNAYDGBIFVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClO2PS/c1-5-6(3,4)2-7/h2H,1H3.
What are the key properties of [chloro(methoxy)phosphoryl]methanethial?
[chloro(methoxy)phosphoryl]methanethial has a molecular weight of 158.55 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(methoxy)phosphoryl]methanethial is sourced from PubChem (CID 22363595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).