[1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol

C9H11BrOS2 — CID 117035043

IUPAC[1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol
SMILESOCC1(Sc2ccc(Br)s2)CCC1
InChIInChI=1S/C9H11BrOS2/c10-7-2-3-8(12-7)13-9(6-11)4-1-5-9/h2-3,11H,1,4-6H2
InChIKeyNWBSNODONXCDAB-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.52
Rot. Bonds3

About [1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol

[1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol (PubChem CID 117035043) has the molecular formula C9H11BrOS2 and a molecular weight of 279.22 g/mol. Its IUPAC name is [1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol.

Molecular Properties

Compound Name[1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol
PubChem CID117035043
Molecular FormulaC9H11BrOS2
Molecular Weight279.22 g/mol
Exact Mass277.94
IUPAC Name[1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol
SMILESOCC1(Sc2ccc(Br)s2)CCC1
InChIInChI=1S/C9H11BrOS2/c10-7-2-3-8(12-7)13-9(6-11)4-1-5-9/h2-3,11H,1,4-6H2
InChIKeyNWBSNODONXCDAB-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol?
The IUPAC name of [1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol (CID 117035043) is [1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol.
What is the SMILES notation for [1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol?
The canonical SMILES for [1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol is OCC1(Sc2ccc(Br)s2)CCC1.
What is the InChIKey of [1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol?
The InChIKey is NWBSNODONXCDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrOS2/c10-7-2-3-8(12-7)13-9(6-11)4-1-5-9/h2-3,11H,1,4-6H2.
What are the key properties of [1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol?
[1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol has a molecular weight of 279.22 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol is sourced from PubChem (CID 117035043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).