(7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene

C16H16S2 — CID 118485440

IUPAC(7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene
SMILESc1cc2c(s1)/C(=C1\CCCc3ccsc31)CCC2
InChIInChI=1S/C16H16S2/c1-3-11-7-9-17-15(11)13(5-1)14-6-2-4-12-8-10-18-16(12)14/h7-10H,1-6H2/b14-13+
InChIKeyQIJYDOOQWIWDNB-BUHFOSPRSA-N
MW272.44 g/mol
LogP5.39
Rot. Bonds

About (7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene

(7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene (PubChem CID 118485440) has the molecular formula C16H16S2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene.

Molecular Properties

Compound Name(7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene
PubChem CID118485440
Molecular FormulaC16H16S2
Molecular Weight272.44 g/mol
Exact Mass272.07
IUPAC Name(7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene
SMILESc1cc2c(s1)/C(=C1\CCCc3ccsc31)CCC2
InChIInChI=1S/C16H16S2/c1-3-11-7-9-17-15(11)13(5-1)14-6-2-4-12-8-10-18-16(12)14/h7-10H,1-6H2/b14-13+
InChIKeyQIJYDOOQWIWDNB-BUHFOSPRSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene?
The IUPAC name of (7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene (CID 118485440) is (7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene.
What is the SMILES notation for (7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene?
The canonical SMILES for (7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene is c1cc2c(s1)/C(=C1\CCCc3ccsc31)CCC2.
What is the InChIKey of (7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene?
The InChIKey is QIJYDOOQWIWDNB-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H16S2/c1-3-11-7-9-17-15(11)13(5-1)14-6-2-4-12-8-10-18-16(12)14/h7-10H,1-6H2/b14-13+.
What are the key properties of (7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene?
(7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene has a molecular weight of 272.44 g/mol, XLogP of 5.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)-5,6-dihydro-4H-1-benzothiophene is sourced from PubChem (CID 118485440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).