(5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

C13H11BrOS2 — CID 63492515

IUPAC(5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1ccc(Br)s1)c1cc2c(s1)CCCC2
InChIInChI=1S/C13H11BrOS2/c14-12-6-5-10(17-12)13(15)11-7-8-3-1-2-4-9(8)16-11/h5-7H,1-4H2
InChIKeyJMUXERWHKAGFBE-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.68
Rot. Bonds2

About (5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

(5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (PubChem CID 63492515) has the molecular formula C13H11BrOS2 and a molecular weight of 327.27 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
PubChem CID63492515
Molecular FormulaC13H11BrOS2
Molecular Weight327.27 g/mol
Exact Mass325.94
IUPAC Name(5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1ccc(Br)s1)c1cc2c(s1)CCCC2
InChIInChI=1S/C13H11BrOS2/c14-12-6-5-10(17-12)13(15)11-7-8-3-1-2-4-9(8)16-11/h5-7H,1-4H2
InChIKeyJMUXERWHKAGFBE-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
N'-(5-bromothiophen-2-yl)sulfonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 26968592
(3,4-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43463390
(3,4-dichlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43463780
(2,6-difluorophenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 114972928
4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 25236556
(3-bromo-4-methoxyphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 43463349
cycloocten-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 106655757
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone
CID 43463038
(2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 114972947
5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone
CID 43462933
isoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 114971887

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (CID 63492515) is (5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is O=C(c1ccc(Br)s1)c1cc2c(s1)CCCC2.
What is the InChIKey of (5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The InChIKey is JMUXERWHKAGFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrOS2/c14-12-6-5-10(17-12)13(15)11-7-8-3-1-2-4-9(8)16-11/h5-7H,1-4H2.
What are the key properties of (5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
(5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone has a molecular weight of 327.27 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 63492515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).