(2E,3Z)-2,3-di(ethylidene)-6,7-dihydro-1-benzothiophene

C12H14S — CID 90077181

IUPAC(2E,3Z)-2,3-di(ethylidene)-6,7-dihydro-1-benzothiophene
SMILESC/C=c1/c2c(s/c1=C/C)CCC=C2
InChIInChI=1S/C12H14S/c1-3-9-10-7-5-6-8-12(10)13-11(9)4-2/h3-5,7H,6,8H2,1-2H3/b9-3-,11-4+
InChIKeyHHUWHIHLISABRL-NAYJDIOTSA-N
MW190.31 g/mol
LogP2.31
Rot. Bonds

About (2E,3Z)-2,3-di(ethylidene)-6,7-dihydro-1-benzothiophene

(2E,3Z)-2,3-di(ethylidene)-6,7-dihydro-1-benzothiophene (PubChem CID 90077181) has the molecular formula C12H14S and a molecular weight of 190.31 g/mol. Its IUPAC name is (2E,3Z)-2,3-di(ethylidene)-6,7-dihydro-1-benzothiophene.

Molecular Properties

Compound Name(2E,3Z)-2,3-di(ethylidene)-6,7-dihydro-1-benzothiophene
PubChem CID90077181
Molecular FormulaC12H14S
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Name(2E,3Z)-2,3-di(ethylidene)-6,7-dihydro-1-benzothiophene
SMILESC/C=c1/c2c(s/c1=C/C)CCC=C2
InChIInChI=1S/C12H14S/c1-3-9-10-7-5-6-8-12(10)13-11(9)4-2/h3-5,7H,6,8H2,1-2H3/b9-3-,11-4+
InChIKeyHHUWHIHLISABRL-NAYJDIOTSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2,3-di(ethylidene)-6,7-dihydro-1-benzothiophene?
The IUPAC name of (2E,3Z)-2,3-di(ethylidene)-6,7-dihydro-1-benzothiophene (CID 90077181) is (2E,3Z)-2,3-di(ethylidene)-6,7-dihydro-1-benzothiophene.
What is the SMILES notation for (2E,3Z)-2,3-di(ethylidene)-6,7-dihydro-1-benzothiophene?
The canonical SMILES for (2E,3Z)-2,3-di(ethylidene)-6,7-dihydro-1-benzothiophene is C/C=c1/c2c(s/c1=C/C)CCC=C2.
What is the InChIKey of (2E,3Z)-2,3-di(ethylidene)-6,7-dihydro-1-benzothiophene?
The InChIKey is HHUWHIHLISABRL-NAYJDIOTSA-N. The full InChI is InChI=1S/C12H14S/c1-3-9-10-7-5-6-8-12(10)13-11(9)4-2/h3-5,7H,6,8H2,1-2H3/b9-3-,11-4+.
What are the key properties of (2E,3Z)-2,3-di(ethylidene)-6,7-dihydro-1-benzothiophene?
(2E,3Z)-2,3-di(ethylidene)-6,7-dihydro-1-benzothiophene has a molecular weight of 190.31 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2,3-di(ethylidene)-6,7-dihydro-1-benzothiophene is sourced from PubChem (CID 90077181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).