[(Z)-2-methylsulfanylethenyl]benzene

C9H10S — CID 5373158

IUPAC[(Z)-2-methylsulfanylethenyl]benzene
SMILESCS/C=C\c1ccccc1
InChIInChI=1S/C9H10S/c1-10-8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7-
InChIKeyBWRWWBWZSDMTFX-FPLPWBNLSA-N
MW150.25 g/mol
LogP3.02
Rot. Bonds2

About [(Z)-2-methylsulfanylethenyl]benzene

[(Z)-2-methylsulfanylethenyl]benzene (PubChem CID 5373158) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is [(Z)-2-methylsulfanylethenyl]benzene.

Molecular Properties

Compound Name[(Z)-2-methylsulfanylethenyl]benzene
PubChem CID5373158
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Name[(Z)-2-methylsulfanylethenyl]benzene
SMILESCS/C=C\c1ccccc1
InChIInChI=1S/C9H10S/c1-10-8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7-
InChIKeyBWRWWBWZSDMTFX-FPLPWBNLSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-methylsulfanylethenyl]benzene?
The IUPAC name of [(Z)-2-methylsulfanylethenyl]benzene (CID 5373158) is [(Z)-2-methylsulfanylethenyl]benzene.
What is the SMILES notation for [(Z)-2-methylsulfanylethenyl]benzene?
The canonical SMILES for [(Z)-2-methylsulfanylethenyl]benzene is CS/C=C\c1ccccc1.
What is the InChIKey of [(Z)-2-methylsulfanylethenyl]benzene?
The InChIKey is BWRWWBWZSDMTFX-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H10S/c1-10-8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7-.
What are the key properties of [(Z)-2-methylsulfanylethenyl]benzene?
[(Z)-2-methylsulfanylethenyl]benzene has a molecular weight of 150.25 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methylsulfanylethenyl]benzene is sourced from PubChem (CID 5373158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).