3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[c]thiophene

C9H11BrS — CID 82390754

IUPAC3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[c]thiophene
SMILESBrc1scc2c1CCCCC2
InChIInChI=1S/C9H11BrS/c10-9-8-5-3-1-2-4-7(8)6-11-9/h6H,1-5H2
InChIKeyFEHOMHCNLIXBFR-UHFFFAOYSA-N
MW231.16 g/mol
LogP3.78
Rot. Bonds

About 3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[c]thiophene

3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[c]thiophene (PubChem CID 82390754) has the molecular formula C9H11BrS and a molecular weight of 231.16 g/mol. Its IUPAC name is 3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[c]thiophene.

Molecular Properties

Compound Name3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[c]thiophene
PubChem CID82390754
Molecular FormulaC9H11BrS
Molecular Weight231.16 g/mol
Exact Mass229.98
IUPAC Name3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[c]thiophene
SMILESBrc1scc2c1CCCCC2
InChIInChI=1S/C9H11BrS/c10-9-8-5-3-1-2-4-7(8)6-11-9/h6H,1-5H2
InChIKeyFEHOMHCNLIXBFR-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine
CID 82390487
3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
CID 71670777
1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone
CID 82378883
3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide
CID 83488848
1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene
CID 141307299
7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine
CID 82393363
1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene
CID 59861128
3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 71670901
4,5,6,7-tetrahydro-2-benzothiophene-1-carboximidamide;hydrochloride
CID 172851160
(2-bromo-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-3-yl)methanamine
CID 114748647
2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol
CID 22252946
3-(1-bromoethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene
CID 71670726

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[c]thiophene?
The IUPAC name of 3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[c]thiophene (CID 82390754) is 3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[c]thiophene.
What is the SMILES notation for 3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[c]thiophene?
The canonical SMILES for 3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[c]thiophene is Brc1scc2c1CCCCC2.
What is the InChIKey of 3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[c]thiophene?
The InChIKey is FEHOMHCNLIXBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrS/c10-9-8-5-3-1-2-4-7(8)6-11-9/h6H,1-5H2.
What are the key properties of 3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[c]thiophene?
3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[c]thiophene has a molecular weight of 231.16 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[c]thiophene is sourced from PubChem (CID 82390754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).