CID 134847075

C6H5OPS4 — CID 134847075

IUPAC—
SMILESO=C(CSP(=S)=S)c1cccs1
InChIInChI=1S/C6H5OPS4/c7-5(4-12-8(9)10)6-2-1-3-11-6/h1-3H,4H2
InChIKeyAHNOUVLNEAOMEC-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.98
Rot. Bonds4

About CID 134847075

CID 134847075 (PubChem CID 134847075) has the molecular formula C6H5OPS4 and a molecular weight of 252.35 g/mol.

Molecular Properties

Compound NameCID 134847075
PubChem CID134847075
Molecular FormulaC6H5OPS4
Molecular Weight252.35 g/mol
Exact Mass251.90
IUPAC Name—
SMILESO=C(CSP(=S)=S)c1cccs1
InChIInChI=1S/C6H5OPS4/c7-5(4-12-8(9)10)6-2-1-3-11-6/h1-3H,4H2
InChIKeyAHNOUVLNEAOMEC-UHFFFAOYSA-N
XLogP2.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenylsulfanyl-1-thiophen-2-ylethanone
CID 11042682
2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 2414449
3-(2-oxo-2-thiophen-2-ylethyl)sulfanylpropanoic acid
CID 71162297
1-thiophen-2-ylpropan-1-one
CID 26179
2,4-dioxo-4-thiophen-2-ylbutanoic acid
CID 2771674
2-cyclopentylsulfanyl-1-thiophen-2-ylethanone
CID 2341406
2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone
CID 107752740
2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone
CID 43801592
2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone
CID 3876278
3-methyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylbutanoic acid
CID 82182801
2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 60971710
2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone
CID 177424685

Frequently Asked Questions

What is the IUPAC name of CID 134847075?
The IUPAC name of CID 134847075 (CID 134847075) is not available.
What is the SMILES notation for CID 134847075?
The canonical SMILES for CID 134847075 is O=C(CSP(=S)=S)c1cccs1.
What is the InChIKey of CID 134847075?
The InChIKey is AHNOUVLNEAOMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5OPS4/c7-5(4-12-8(9)10)6-2-1-3-11-6/h1-3H,4H2.
What are the key properties of CID 134847075?
CID 134847075 has a molecular weight of 252.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134847075 is sourced from PubChem (CID 134847075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).