6-propa-1,2-dienyl-1-benzothiophene

C11H8S — CID 123553424

IUPAC6-propa-1,2-dienyl-1-benzothiophene
SMILESC=C=Cc1ccc2ccsc2c1
InChIInChI=1S/C11H8S/c1-2-3-9-4-5-10-6-7-12-11(10)8-9/h3-8H,1H2
InChIKeyYMQRLAGBGBPQIN-UHFFFAOYSA-N
MW172.25 g/mol
LogP3.70
Rot. Bonds1

About 6-propa-1,2-dienyl-1-benzothiophene

6-propa-1,2-dienyl-1-benzothiophene (PubChem CID 123553424) has the molecular formula C11H8S and a molecular weight of 172.25 g/mol. Its IUPAC name is 6-propa-1,2-dienyl-1-benzothiophene.

Molecular Properties

Compound Name6-propa-1,2-dienyl-1-benzothiophene
PubChem CID123553424
Molecular FormulaC11H8S
Molecular Weight172.25 g/mol
Exact Mass172.03
IUPAC Name6-propa-1,2-dienyl-1-benzothiophene
SMILESC=C=Cc1ccc2ccsc2c1
InChIInChI=1S/C11H8S/c1-2-3-9-4-5-10-6-7-12-11(10)8-9/h3-8H,1H2
InChIKeyYMQRLAGBGBPQIN-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[(E)-2-ethoxyethenyl]-1-benzothiophene
CID 172847039
6-bromo-1-benzothiophene
CID 12744400
6-fluoro-1-benzothiophene
CID 19088018
6-isocyanato-1-benzothiophene
CID 83914736
5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58410946
7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaene
CID 58410823
1-benzothiophene-6-sulfinic acid
CID 69276516
3-(1-benzothiophen-6-yl)azetidin-3-amine
CID 166608917
1-benzothiophene-5,6-dicarbonitrile
CID 14716418
1-benzothiophene
CID 175697738
1-benzothiophene
CID 7221
hydron;thieno[3,2-b]thiophene
CID 174437334

Frequently Asked Questions

What is the IUPAC name of 6-propa-1,2-dienyl-1-benzothiophene?
The IUPAC name of 6-propa-1,2-dienyl-1-benzothiophene (CID 123553424) is 6-propa-1,2-dienyl-1-benzothiophene.
What is the SMILES notation for 6-propa-1,2-dienyl-1-benzothiophene?
The canonical SMILES for 6-propa-1,2-dienyl-1-benzothiophene is C=C=Cc1ccc2ccsc2c1.
What is the InChIKey of 6-propa-1,2-dienyl-1-benzothiophene?
The InChIKey is YMQRLAGBGBPQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8S/c1-2-3-9-4-5-10-6-7-12-11(10)8-9/h3-8H,1H2.
What are the key properties of 6-propa-1,2-dienyl-1-benzothiophene?
6-propa-1,2-dienyl-1-benzothiophene has a molecular weight of 172.25 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propa-1,2-dienyl-1-benzothiophene is sourced from PubChem (CID 123553424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).