ethane;4,5,6,7-tetrahydro-2-benzothiophene

C10H16S — CID 142139297

IUPACethane;4,5,6,7-tetrahydro-2-benzothiophene
SMILESCC.c1scc2c1CCCC2
InChIInChI=1S/C8H10S.C2H6/c1-2-4-8-6-9-5-7(8)3-1;1-2/h5-6H,1-4H2;1-2H3
InChIKeyQRTQNCJLACYLMF-UHFFFAOYSA-N
MW168.31 g/mol
LogP3.65
Rot. Bonds

About ethane;4,5,6,7-tetrahydro-2-benzothiophene

ethane;4,5,6,7-tetrahydro-2-benzothiophene (PubChem CID 142139297) has the molecular formula C10H16S and a molecular weight of 168.31 g/mol. Its IUPAC name is ethane;4,5,6,7-tetrahydro-2-benzothiophene.

Molecular Properties

Compound Nameethane;4,5,6,7-tetrahydro-2-benzothiophene
PubChem CID142139297
Molecular FormulaC10H16S
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Nameethane;4,5,6,7-tetrahydro-2-benzothiophene
SMILESCC.c1scc2c1CCCC2
InChIInChI=1S/C8H10S.C2H6/c1-2-4-8-6-9-5-7(8)3-1;1-2/h5-6H,1-4H2;1-2H3
InChIKeyQRTQNCJLACYLMF-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5,6-tetrahydrothieno[3,4-c]dioxocine
CID 87075641
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
4-methyl-7-thia-2,3-diazabicyclo[3.3.3]undeca-1(8),3,5-trien-2-amine
CID 90912251
N-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine
CID 149498181
4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol
CID 82398681
ethane;bis(1,2,3,4-tetrahydronaphthalene);tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 161259233
ethane;4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 145378366
9,10-dimethylbicyclo[6.2.2]dodeca-1(10),8,11-triene
CID 15321172
1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene
CID 141307299
butane;ethane;4,5,6,7-tetrahydro-1-benzothiophene
CID 144580255
ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene
CID 142513105
1,2,3,4-tetrahydronaphthalene
CID 174531863

Frequently Asked Questions

What is the IUPAC name of ethane;4,5,6,7-tetrahydro-2-benzothiophene?
The IUPAC name of ethane;4,5,6,7-tetrahydro-2-benzothiophene (CID 142139297) is ethane;4,5,6,7-tetrahydro-2-benzothiophene.
What is the SMILES notation for ethane;4,5,6,7-tetrahydro-2-benzothiophene?
The canonical SMILES for ethane;4,5,6,7-tetrahydro-2-benzothiophene is CC.c1scc2c1CCCC2.
What is the InChIKey of ethane;4,5,6,7-tetrahydro-2-benzothiophene?
The InChIKey is QRTQNCJLACYLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S.C2H6/c1-2-4-8-6-9-5-7(8)3-1;1-2/h5-6H,1-4H2;1-2H3.
What are the key properties of ethane;4,5,6,7-tetrahydro-2-benzothiophene?
ethane;4,5,6,7-tetrahydro-2-benzothiophene has a molecular weight of 168.31 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,5,6,7-tetrahydro-2-benzothiophene is sourced from PubChem (CID 142139297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).