(E)-2-methylsulfanyl-1,2-diphenylethenethiol

C15H14S2 — CID 3004109

IUPAC(E)-2-methylsulfanyl-1,2-diphenylethenethiol
SMILESCS/C(=C(/S)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14S2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,16H,1H3/b15-14+
InChIKeyXMPSARMVOPXBCD-CCEZHUSRSA-N
MW258.41 g/mol
LogP4.81
Rot. Bonds3

About (E)-2-methylsulfanyl-1,2-diphenylethenethiol

(E)-2-methylsulfanyl-1,2-diphenylethenethiol (PubChem CID 3004109) has the molecular formula C15H14S2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (E)-2-methylsulfanyl-1,2-diphenylethenethiol.

Molecular Properties

Compound Name(E)-2-methylsulfanyl-1,2-diphenylethenethiol
PubChem CID3004109
Molecular FormulaC15H14S2
Molecular Weight258.41 g/mol
Exact Mass258.05
IUPAC Name(E)-2-methylsulfanyl-1,2-diphenylethenethiol
SMILESCS/C(=C(/S)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14S2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,16H,1H3/b15-14+
InChIKeyXMPSARMVOPXBCD-CCEZHUSRSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methylsulfanyl-1,2-diphenylethenethiol?
The IUPAC name of (E)-2-methylsulfanyl-1,2-diphenylethenethiol (CID 3004109) is (E)-2-methylsulfanyl-1,2-diphenylethenethiol.
What is the SMILES notation for (E)-2-methylsulfanyl-1,2-diphenylethenethiol?
The canonical SMILES for (E)-2-methylsulfanyl-1,2-diphenylethenethiol is CS/C(=C(/S)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2-methylsulfanyl-1,2-diphenylethenethiol?
The InChIKey is XMPSARMVOPXBCD-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H14S2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,16H,1H3/b15-14+.
What are the key properties of (E)-2-methylsulfanyl-1,2-diphenylethenethiol?
(E)-2-methylsulfanyl-1,2-diphenylethenethiol has a molecular weight of 258.41 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylsulfanyl-1,2-diphenylethenethiol is sourced from PubChem (CID 3004109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).