(4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate

C11H10O2S — CID 19069570

IUPAC(4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate
SMILESC=Cc1ccc(OC(=O)C=S)c(C)c1
InChIInChI=1S/C11H10O2S/c1-3-9-4-5-10(8(2)6-9)13-11(12)7-14/h3-7H,1H2,2H3
InChIKeyIKSJRQQJRPRTNS-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.54
Rot. Bonds3

About (4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate

(4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate (PubChem CID 19069570) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is (4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate.

Molecular Properties

Compound Name(4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate
PubChem CID19069570
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name(4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate
SMILESC=Cc1ccc(OC(=O)C=S)c(C)c1
InChIInChI=1S/C11H10O2S/c1-3-9-4-5-10(8(2)6-9)13-11(12)7-14/h3-7H,1H2,2H3
InChIKeyIKSJRQQJRPRTNS-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-acetyloxy-4-ethenylphenyl) acetate
CID 11401740
1-(5-ethenyl-2-methylphenyl)ethanone
CID 143958265
methyl 5-ethenyl-2-methylbenzoate
CID 10702422
[2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate
CID 59739110
ethyl 5-ethenyl-2-methoxybenzoate
CID 172649040
(2-tert-butyl-4-ethenylphenyl) hydrogen carbonate
CID 66588423
ethane;4-ethenyl-1,2-dimethylbenzene
CID 142852203
4-ethenylphthalic acid
CID 90982643
(2-methylphenyl) 4-ethenylbenzoate
CID 101047505
[2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate
CID 20820433
(4-butan-2-yl-2-methylphenyl) prop-2-enoate
CID 23528168
(2,4-dimethylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6128285

Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate?
The IUPAC name of (4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate (CID 19069570) is (4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate.
What is the SMILES notation for (4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate?
The canonical SMILES for (4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate is C=Cc1ccc(OC(=O)C=S)c(C)c1.
What is the InChIKey of (4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate?
The InChIKey is IKSJRQQJRPRTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-3-9-4-5-10(8(2)6-9)13-11(12)7-14/h3-7H,1H2,2H3.
What are the key properties of (4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate?
(4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate has a molecular weight of 206.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-2-methylphenyl) 2-sulfanylideneacetate is sourced from PubChem (CID 19069570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).