(Z)-2,3-diphenylbut-2-enedithial

C16H12S2 — CID 101175637

IUPAC(Z)-2,3-diphenylbut-2-enedithial
SMILESS=C/C(=C(\C=S)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12S2/c17-11-15(13-7-3-1-4-8-13)16(12-18)14-9-5-2-6-10-14/h1-12H/b16-15-
InChIKeyAYWSCMSRJUZAER-NXVVXOECSA-N
MW268.41 g/mol
LogP4.60
Rot. Bonds4

About (Z)-2,3-diphenylbut-2-enedithial

(Z)-2,3-diphenylbut-2-enedithial (PubChem CID 101175637) has the molecular formula C16H12S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is (Z)-2,3-diphenylbut-2-enedithial.

Molecular Properties

Compound Name(Z)-2,3-diphenylbut-2-enedithial
PubChem CID101175637
Molecular FormulaC16H12S2
Molecular Weight268.41 g/mol
Exact Mass268.04
IUPAC Name(Z)-2,3-diphenylbut-2-enedithial
SMILESS=C/C(=C(\C=S)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12S2/c17-11-15(13-7-3-1-4-8-13)16(12-18)14-9-5-2-6-10-14/h1-12H/b16-15-
InChIKeyAYWSCMSRJUZAER-NXVVXOECSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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(2E)-3,4,5,5-tetrachloro-2-phenylpenta-2,4-dienal
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CID 12505640
CID 12505640
2-phenylpenta-2,4-dien-3-ylbenzene
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2-hydroxy-3-phenylpenta-2,4-dienoic acid
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CID 143435257

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-diphenylbut-2-enedithial?
The IUPAC name of (Z)-2,3-diphenylbut-2-enedithial (CID 101175637) is (Z)-2,3-diphenylbut-2-enedithial.
What is the SMILES notation for (Z)-2,3-diphenylbut-2-enedithial?
The canonical SMILES for (Z)-2,3-diphenylbut-2-enedithial is S=C/C(=C(\C=S)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2,3-diphenylbut-2-enedithial?
The InChIKey is AYWSCMSRJUZAER-NXVVXOECSA-N. The full InChI is InChI=1S/C16H12S2/c17-11-15(13-7-3-1-4-8-13)16(12-18)14-9-5-2-6-10-14/h1-12H/b16-15-.
What are the key properties of (Z)-2,3-diphenylbut-2-enedithial?
(Z)-2,3-diphenylbut-2-enedithial has a molecular weight of 268.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-diphenylbut-2-enedithial is sourced from PubChem (CID 101175637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).