2,3-dihydrocyclohepta[b]thiophene;ethane

C11H14S — CID 143195799

IUPAC2,3-dihydrocyclohepta[b]thiophene;ethane
SMILESC1=CC=CC2=C(C=1)CCS2.CC
InChIInChI=1S/C9H8S.C2H6/c1-2-4-8-6-7-10-9(8)5-3-1;1-2/h1,3-5H,6-7H2;1-2H3
InChIKeyAMXMCLOLTYFHNP-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.68
Rot. Bonds

About 2,3-dihydrocyclohepta[b]thiophene;ethane

2,3-dihydrocyclohepta[b]thiophene;ethane (PubChem CID 143195799) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 2,3-dihydrocyclohepta[b]thiophene;ethane.

Molecular Properties

Compound Name2,3-dihydrocyclohepta[b]thiophene;ethane
PubChem CID143195799
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name2,3-dihydrocyclohepta[b]thiophene;ethane
SMILESC1=CC=CC2=C(C=1)CCS2.CC
InChIInChI=1S/C9H8S.C2H6/c1-2-4-8-6-7-10-9(8)5-3-1;1-2/h1,3-5H,6-7H2;1-2H3
InChIKeyAMXMCLOLTYFHNP-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 142190844
benzo[7]annulene;propane
CID 143124773
2,3-dihydro-1H-pentalene
CID 91029970
5-cyclohepta-1,3,6-trien-1-yl-3-oxa-5-azabicyclo[6.5.0]trideca-1(8),9,10,12-tetraene
CID 138751423
1-methylcycloocta-1,2,4,5,7-pentaene
CID 123730588
2-fluoro-1-azacyclohepta-1,3,5,6-tetraene
CID 123793081
N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine
CID 143094072
tetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene
CID 90876142
ethane;5-methylcyclohepta-1,2,4,6-tetraene;toluene
CID 142426250
5-iodocyclohepta-1,2,4,6-tetraene
CID 71417330
cyclohepta[a]naphthalene
CID 143335474
7,7-dimethyl-2,3-dihydrocyclohepta[b][1,4]oxathiine
CID 143422485

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrocyclohepta[b]thiophene;ethane?
The IUPAC name of 2,3-dihydrocyclohepta[b]thiophene;ethane (CID 143195799) is 2,3-dihydrocyclohepta[b]thiophene;ethane.
What is the SMILES notation for 2,3-dihydrocyclohepta[b]thiophene;ethane?
The canonical SMILES for 2,3-dihydrocyclohepta[b]thiophene;ethane is C1=CC=CC2=C(C=1)CCS2.CC.
What is the InChIKey of 2,3-dihydrocyclohepta[b]thiophene;ethane?
The InChIKey is AMXMCLOLTYFHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S.C2H6/c1-2-4-8-6-7-10-9(8)5-3-1;1-2/h1,3-5H,6-7H2;1-2H3.
What are the key properties of 2,3-dihydrocyclohepta[b]thiophene;ethane?
2,3-dihydrocyclohepta[b]thiophene;ethane has a molecular weight of 178.30 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrocyclohepta[b]thiophene;ethane is sourced from PubChem (CID 143195799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).