CID 10497010

C17H20O3PS — CID 10497010

IUPAC—
SMILESCOP(=O)([CH]c1ccc(C)cc1Sc1ccc(C)cc1)OC
InChIInChI=1S/C17H20O3PS/c1-13-6-9-16(10-7-13)22-17-11-14(2)5-8-15(17)12-21(18,19-3)20-4/h5-12H,1-4H3
InChIKeyCVESUZCXSVAZQY-UHFFFAOYSA-N
MW335.39 g/mol
LogP5.45
Rot. Bonds6

About CID 10497010

CID 10497010 (PubChem CID 10497010) has the molecular formula C17H20O3PS and a molecular weight of 335.39 g/mol.

Molecular Properties

Compound NameCID 10497010
PubChem CID10497010
Molecular FormulaC17H20O3PS
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name—
SMILESCOP(=O)([CH]c1ccc(C)cc1Sc1ccc(C)cc1)OC
InChIInChI=1S/C17H20O3PS/c1-13-6-9-16(10-7-13)22-17-11-14(2)5-8-15(17)12-21(18,19-3)20-4/h5-12H,1-4H3
InChIKeyCVESUZCXSVAZQY-UHFFFAOYSA-N
XLogP5.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.39
LogP ≤ 55.45
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

4-methyl-2-phenylsulfanylbenzaldehyde
CID 86250344
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde
CID 55238574
5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde
CID 18668911
[5-methyl-2-(4-methylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium
CID 143426165
4-fluoro-2-(4-methylsulfinylphenyl)sulfanylbenzaldehyde
CID 19361949
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
CID 18738952
1-[4-[4-(2,4-dimethylphenyl)sulfanylphenyl]sulfinylphenyl]sulfanyl-2,4-dimethylbenzene
CID 67240230
5-methyl-3-(4-methylphenyl)sulfanylbenzene-1,2-diamine
CID 142454166
[4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine
CID 117033206
methyl 5-methyl-2-phenylsulfanylbenzoate
CID 21481132

Frequently Asked Questions

What is the IUPAC name of CID 10497010?
The IUPAC name of CID 10497010 (CID 10497010) is not available.
What is the SMILES notation for CID 10497010?
The canonical SMILES for CID 10497010 is COP(=O)([CH]c1ccc(C)cc1Sc1ccc(C)cc1)OC.
What is the InChIKey of CID 10497010?
The InChIKey is CVESUZCXSVAZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3PS/c1-13-6-9-16(10-7-13)22-17-11-14(2)5-8-15(17)12-21(18,19-3)20-4/h5-12H,1-4H3.
What are the key properties of CID 10497010?
CID 10497010 has a molecular weight of 335.39 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10497010 is sourced from PubChem (CID 10497010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).