2-(2-methylprop-1-enyl)benzenethiol

C10H12S — CID 90136513

IUPAC2-(2-methylprop-1-enyl)benzenethiol
SMILESCC(C)=Cc1ccccc1S
InChIInChI=1S/C10H12S/c1-8(2)7-9-5-3-4-6-10(9)11/h3-7,11H,1-2H3
InChIKeyBFLKTUOAMVSLGB-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.40
Rot. Bonds1

About 2-(2-methylprop-1-enyl)benzenethiol

2-(2-methylprop-1-enyl)benzenethiol (PubChem CID 90136513) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)benzenethiol.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)benzenethiol
PubChem CID90136513
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name2-(2-methylprop-1-enyl)benzenethiol
SMILESCC(C)=Cc1ccccc1S
InChIInChI=1S/C10H12S/c1-8(2)7-9-5-3-4-6-10(9)11/h3-7,11H,1-2H3
InChIKeyBFLKTUOAMVSLGB-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[(1E)-2-methylpenta-1,4-dienyl]benzenethiol
CID 56984915
benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
CID 144639766
ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene
CID 143654751
1-(2-methylprop-1-enyl)-2-phenylbenzene
CID 59340374
1-[2-(2-methylprop-1-enyl)phenyl]prop-2-yn-1-ol
CID 102255156
1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene
CID 163802436
N-[2-(2-methylprop-1-enyl)phenyl]formamide
CID 89257522
1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione
CID 102031724
2-[[2,2-dimethyl-3-[(2-sulfanylphenyl)methylideneamino]propyl]iminomethyl]benzenethiol
CID 136729251
4-methyl-3-(2-methylprop-1-enyl)benzenethiol
CID 142833135
1,2-bis(3-methylbuta-1,2-dienyl)benzene
CID 12825766
N-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine
CID 100996603

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enyl)benzenethiol?
The IUPAC name of 2-(2-methylprop-1-enyl)benzenethiol (CID 90136513) is 2-(2-methylprop-1-enyl)benzenethiol.
What is the SMILES notation for 2-(2-methylprop-1-enyl)benzenethiol?
The canonical SMILES for 2-(2-methylprop-1-enyl)benzenethiol is CC(C)=Cc1ccccc1S.
What is the InChIKey of 2-(2-methylprop-1-enyl)benzenethiol?
The InChIKey is BFLKTUOAMVSLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-8(2)7-9-5-3-4-6-10(9)11/h3-7,11H,1-2H3.
What are the key properties of 2-(2-methylprop-1-enyl)benzenethiol?
2-(2-methylprop-1-enyl)benzenethiol has a molecular weight of 164.27 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)benzenethiol is sourced from PubChem (CID 90136513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).