1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene

C11H14S — CID 102248016

IUPAC1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(CSC)cc1
InChIInChI=1S/C11H14S/c1-9(2)11-6-4-10(5-7-11)8-12-3/h4-7H,1,8H2,2-3H3
InChIKeyJHZLYJZPYOAPMJ-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.58
Rot. Bonds3

About 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene

1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene (PubChem CID 102248016) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene
PubChem CID102248016
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(CSC)cc1
InChIInChI=1S/C11H14S/c1-9(2)11-6-4-10(5-7-11)8-12-3/h4-7H,1,8H2,2-3H3
InChIKeyJHZLYJZPYOAPMJ-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene 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

1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene
CID 143231860
1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 10176333
ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 144516269
1-iodo-3-[(4-prop-1-en-2-ylphenyl)methylsulfanyl]benzene
CID 139659074
N,N-diethyl-4-(methylsulfanylmethyl)benzamide
CID 60635900
2-[(4-prop-1-en-2-ylphenyl)methyl]-2H-azirine
CID 141270203
1-prop-1-en-2-yl-4-[(4-propylphenyl)methyl]benzene
CID 153374408
propan-2-yl 4-(methylsulfanylmethyl)benzoate
CID 78907964
1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine
CID 87132038
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene
CID 58428364
4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol
CID 139983559

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene (CID 102248016) is 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(CSC)cc1.
What is the InChIKey of 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene?
The InChIKey is JHZLYJZPYOAPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-9(2)11-6-4-10(5-7-11)8-12-3/h4-7H,1,8H2,2-3H3.
What are the key properties of 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene?
1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene has a molecular weight of 178.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 102248016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).