4-ethenylidene-2,3-dihydrothiochromene

C11H10S — CID 143818370

IUPAC4-ethenylidene-2,3-dihydrothiochromene
SMILESC=C=C1CCSc2ccccc21
InChIInChI=1S/C11H10S/c1-2-9-7-8-12-11-6-4-3-5-10(9)11/h3-6H,1,7-8H2
InChIKeyKJBZLDXYOBSXAF-UHFFFAOYSA-N
MW174.27 g/mol
LogP3.35
Rot. Bonds

About 4-ethenylidene-2,3-dihydrothiochromene

4-ethenylidene-2,3-dihydrothiochromene (PubChem CID 143818370) has the molecular formula C11H10S and a molecular weight of 174.27 g/mol. Its IUPAC name is 4-ethenylidene-2,3-dihydrothiochromene.

Molecular Properties

Compound Name4-ethenylidene-2,3-dihydrothiochromene
PubChem CID143818370
Molecular FormulaC11H10S
Molecular Weight174.27 g/mol
Exact Mass174.05
IUPAC Name4-ethenylidene-2,3-dihydrothiochromene
SMILESC=C=C1CCSc2ccccc21
InChIInChI=1S/C11H10S/c1-2-9-7-8-12-11-6-4-3-5-10(9)11/h3-6H,1,7-8H2
InChIKeyKJBZLDXYOBSXAF-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-methyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydro-1-benzothiepine
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(2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide
CID 67689586
(NE)-N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine
CID 5400234
(5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione
CID 88657751
8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;4-methylidene-2,3-dihydrothiochromene
CID 143450248
10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene
CID 134090714
1-benzothiophen-3-one
CID 10986413
3,4-dihydro-2H-thiochromene
CID 66971118
5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine
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CID 123570357

Frequently Asked Questions

What is the IUPAC name of 4-ethenylidene-2,3-dihydrothiochromene?
The IUPAC name of 4-ethenylidene-2,3-dihydrothiochromene (CID 143818370) is 4-ethenylidene-2,3-dihydrothiochromene.
What is the SMILES notation for 4-ethenylidene-2,3-dihydrothiochromene?
The canonical SMILES for 4-ethenylidene-2,3-dihydrothiochromene is C=C=C1CCSc2ccccc21.
What is the InChIKey of 4-ethenylidene-2,3-dihydrothiochromene?
The InChIKey is KJBZLDXYOBSXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S/c1-2-9-7-8-12-11-6-4-3-5-10(9)11/h3-6H,1,7-8H2.
What are the key properties of 4-ethenylidene-2,3-dihydrothiochromene?
4-ethenylidene-2,3-dihydrothiochromene has a molecular weight of 174.27 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylidene-2,3-dihydrothiochromene is sourced from PubChem (CID 143818370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).