4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol

C9H11BrOS2 — CID 83190729

IUPAC4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol
SMILESOC1CSCC1Cc1cc(Br)cs1
InChIInChI=1S/C9H11BrOS2/c10-7-2-8(13-4-7)1-6-3-12-5-9(6)11/h2,4,6,9,11H,1,3,5H2
InChIKeyJQOAHLPSBKCCCX-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.78
Rot. Bonds2

About 4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol

4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol (PubChem CID 83190729) has the molecular formula C9H11BrOS2 and a molecular weight of 279.22 g/mol. Its IUPAC name is 4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol.

Molecular Properties

Compound Name4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol
PubChem CID83190729
Molecular FormulaC9H11BrOS2
Molecular Weight279.22 g/mol
Exact Mass277.94
IUPAC Name4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol
SMILESOC1CSCC1Cc1cc(Br)cs1
InChIInChI=1S/C9H11BrOS2/c10-7-2-8(13-4-7)1-6-3-12-5-9(6)11/h2,4,6,9,11H,1,3,5H2
InChIKeyJQOAHLPSBKCCCX-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[(4-bromothiolan-3-yl)methyl]thiophene
CID 83191367
4-bromo-3-[(4-bromothiophen-2-yl)methyl]oxane
CID 106471691
N-[[2-[(4-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81022554
2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
CID 63403346
2-[(4-bromothiophen-2-yl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 81020480
3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine
CID 106469214
2-[(4-bromothiophen-2-yl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 81021307
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63403222
4-bromo-2-[(2-bromo-5-phenylcyclohexyl)methyl]thiophene
CID 63470529
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63403329
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401772

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol?
The IUPAC name of 4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol (CID 83190729) is 4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol.
What is the SMILES notation for 4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol?
The canonical SMILES for 4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol is OC1CSCC1Cc1cc(Br)cs1.
What is the InChIKey of 4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol?
The InChIKey is JQOAHLPSBKCCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrOS2/c10-7-2-8(13-4-7)1-6-3-12-5-9(6)11/h2,4,6,9,11H,1,3,5H2.
What are the key properties of 4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol?
4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol has a molecular weight of 279.22 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol is sourced from PubChem (CID 83190729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).