(Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane

C12H18S — CID 143503562

IUPAC(Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane
SMILESCC.Cc1ccc(C)c(/C=C\S)c1
InChIInChI=1S/C10H12S.C2H6/c1-8-3-4-9(2)10(7-8)5-6-11;1-2/h3-7,11H,1-2H3;1-2H3/b6-5-;
InChIKeyDHTPDCNCFKATPW-YSMBQZINSA-N
MW194.34 g/mol
LogP4.23
Rot. Bonds1

About (Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane

(Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane (PubChem CID 143503562) has the molecular formula C12H18S and a molecular weight of 194.34 g/mol. Its IUPAC name is (Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane.

Molecular Properties

Compound Name(Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane
PubChem CID143503562
Molecular FormulaC12H18S
Molecular Weight194.34 g/mol
Exact Mass194.11
IUPAC Name(Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane
SMILESCC.Cc1ccc(C)c(/C=C\S)c1
InChIInChI=1S/C10H12S.C2H6/c1-8-3-4-9(2)10(7-8)5-6-11;1-2/h3-7,11H,1-2H3;1-2H3/b6-5-;
InChIKeyDHTPDCNCFKATPW-YSMBQZINSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane?
The IUPAC name of (Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane (CID 143503562) is (Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane.
What is the SMILES notation for (Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane?
The canonical SMILES for (Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane is CC.Cc1ccc(C)c(/C=C\S)c1.
What is the InChIKey of (Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane?
The InChIKey is DHTPDCNCFKATPW-YSMBQZINSA-N. The full InChI is InChI=1S/C10H12S.C2H6/c1-8-3-4-9(2)10(7-8)5-6-11;1-2/h3-7,11H,1-2H3;1-2H3/b6-5-;.
What are the key properties of (Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane?
(Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane has a molecular weight of 194.34 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane is sourced from PubChem (CID 143503562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).