ethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene

C14H18S — CID 142399260

IUPACethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene
SMILESC=Cc1sc2c(c1C)CC=CC=C2.CC
InChIInChI=1S/C12H12S.C2H6/c1-3-11-9(2)10-7-5-4-6-8-12(10)13-11;1-2/h3-6,8H,1,7H2,2H3;1-2H3
InChIKeyFNXKNHIWCBYIOK-UHFFFAOYSA-N
MW218.36 g/mol
LogP4.85
Rot. Bonds1

About ethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene

ethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene (PubChem CID 142399260) has the molecular formula C14H18S and a molecular weight of 218.36 g/mol. Its IUPAC name is ethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene.

Molecular Properties

Compound Nameethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene
PubChem CID142399260
Molecular FormulaC14H18S
Molecular Weight218.36 g/mol
Exact Mass218.11
IUPAC Nameethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene
SMILESC=Cc1sc2c(c1C)CC=CC=C2.CC
InChIInChI=1S/C12H12S.C2H6/c1-3-11-9(2)10-7-5-4-6-8-12(10)13-11;1-2/h3-6,8H,1,7H2,2H3;1-2H3
InChIKeyFNXKNHIWCBYIOK-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene
CID 167031628
1-(4-bromobutyl)-2-ethenyl-3-methyl-4H-cyclohepta[b]pyrrole
CID 142874527
4H-cyclohepta[b]thiophene-3-carbonitrile
CID 174626676
4-(10H-cyclohepta[b][1]benzothiol-4-yl)aniline
CID 139498191
14,14-dimethyl-12-prop-2-enyl-9-thiatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),4,6,11(15),16-hexaene
CID 144907299
2-[(6-amino-5-iminocyclohexa-1,3-dien-1-yl)iminomethyl]-4H-cyclohepta[b]thiophen-3-ol
CID 143517948
5-methylidenecyclohexa-1,3-diene;dihydrobromide
CID 175171179
4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene
CID 143283019
2,3-bis(ethenyl)-5-ethylthiophene;ethane
CID 142071881
cyclohepta-1,3,5-triene-1,2-diamine
CID 163640522
2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene
CID 162362812
2,3-ditert-butyl-4H-cyclopenta[b]thiophene
CID 159148646

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene?
The IUPAC name of ethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene (CID 142399260) is ethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene.
What is the SMILES notation for ethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene?
The canonical SMILES for ethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene is C=Cc1sc2c(c1C)CC=CC=C2.CC.
What is the InChIKey of ethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene?
The InChIKey is FNXKNHIWCBYIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S.C2H6/c1-3-11-9(2)10-7-5-4-6-8-12(10)13-11;1-2/h3-6,8H,1,7H2,2H3;1-2H3.
What are the key properties of ethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene?
ethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene has a molecular weight of 218.36 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-3-methyl-4H-cyclohepta[b]thiophene is sourced from PubChem (CID 142399260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).