CID 134846948

C8H7OPS3 — CID 134846948

IUPAC—
SMILESO=C(CSP(=S)=S)c1ccccc1
InChIInChI=1S/C8H7OPS3/c9-8(6-13-10(11)12)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyIBXYGDHRZJPDRU-UHFFFAOYSA-N
MW246.32 g/mol
LogP2.92
Rot. Bonds4

About CID 134846948

CID 134846948 (PubChem CID 134846948) has the molecular formula C8H7OPS3 and a molecular weight of 246.32 g/mol.

Molecular Properties

Compound NameCID 134846948
PubChem CID134846948
Molecular FormulaC8H7OPS3
Molecular Weight246.32 g/mol
Exact Mass245.94
IUPAC Name—
SMILESO=C(CSP(=S)=S)c1ccccc1
InChIInChI=1S/C8H7OPS3/c9-8(6-13-10(11)12)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyIBXYGDHRZJPDRU-UHFFFAOYSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1,3-diphenylpropane-1,3-dione;dihydrofluoride
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CID 67929938
2-phenacylsulfanyl-N-phenylacetamide
CID 569693
(2-phenacylsulfanylacetyl) 2-phenacylsulfanylacetate
CID 71371728
benzene;2-hydroxy-1-phenylethanone
CID 174663024
phenacyl N,N-diphenylcarbamodithioate
CID 86113717
S-phenacyl 2,2-dimethylpropanethioate
CID 161413927
O-ethyl phenacylsulfanylmethanethioate
CID 3787768
2-phenacylsulfanylisoindole-1,3-dione
CID 10935370
dimethyl-[phenacylsulfanyl(phenyl)methylidene]azanium
CID 15311920
CID 173152165
CID 173152165

Frequently Asked Questions

What is the IUPAC name of CID 134846948?
The IUPAC name of CID 134846948 (CID 134846948) is not available.
What is the SMILES notation for CID 134846948?
The canonical SMILES for CID 134846948 is O=C(CSP(=S)=S)c1ccccc1.
What is the InChIKey of CID 134846948?
The InChIKey is IBXYGDHRZJPDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7OPS3/c9-8(6-13-10(11)12)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of CID 134846948?
CID 134846948 has a molecular weight of 246.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134846948 is sourced from PubChem (CID 134846948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).