methyl-(4-methylphenyl)-oxo-(1-phenylethenylimino)-lambda6-sulfane

C16H17NOS — CID 11277274

IUPACmethyl-(4-methylphenyl)-oxo-(1-phenylethenylimino)-lambda6-sulfane
SMILESC=C(N=S(C)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C16H17NOS/c1-13-9-11-16(12-10-13)19(3,18)17-14(2)15-7-5-4-6-8-15/h4-12H,2H2,1,3H3
InChIKeyJVCOECBZKBFSSH-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.12
Rot. Bonds3

About methyl-(4-methylphenyl)-oxo-(1-phenylethenylimino)-lambda6-sulfane

methyl-(4-methylphenyl)-oxo-(1-phenylethenylimino)-lambda6-sulfane (PubChem CID 11277274) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is methyl-(4-methylphenyl)-oxo-(1-phenylethenylimino)-lambda6-sulfane.

Molecular Properties

Compound Namemethyl-(4-methylphenyl)-oxo-(1-phenylethenylimino)-lambda6-sulfane
PubChem CID11277274
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Namemethyl-(4-methylphenyl)-oxo-(1-phenylethenylimino)-lambda6-sulfane
SMILESC=C(N=S(C)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C16H17NOS/c1-13-9-11-16(12-10-13)19(3,18)17-14(2)15-7-5-4-6-8-15/h4-12H,2H2,1,3H3
InChIKeyJVCOECBZKBFSSH-UHFFFAOYSA-N
XLogP4.12
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-(4-methylphenyl)-oxo-(1-phenylethenylimino)-lambda6-sulfane?
The IUPAC name of methyl-(4-methylphenyl)-oxo-(1-phenylethenylimino)-lambda6-sulfane (CID 11277274) is methyl-(4-methylphenyl)-oxo-(1-phenylethenylimino)-lambda6-sulfane.
What is the SMILES notation for methyl-(4-methylphenyl)-oxo-(1-phenylethenylimino)-lambda6-sulfane?
The canonical SMILES for methyl-(4-methylphenyl)-oxo-(1-phenylethenylimino)-lambda6-sulfane is C=C(N=S(C)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of methyl-(4-methylphenyl)-oxo-(1-phenylethenylimino)-lambda6-sulfane?
The InChIKey is JVCOECBZKBFSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-13-9-11-16(12-10-13)19(3,18)17-14(2)15-7-5-4-6-8-15/h4-12H,2H2,1,3H3.
What are the key properties of methyl-(4-methylphenyl)-oxo-(1-phenylethenylimino)-lambda6-sulfane?
methyl-(4-methylphenyl)-oxo-(1-phenylethenylimino)-lambda6-sulfane has a molecular weight of 271.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-methylphenyl)-oxo-(1-phenylethenylimino)-lambda6-sulfane is sourced from PubChem (CID 11277274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).