1-amino-2-(4-bromothiophen-3-yl)propan-2-ol

C7H10BrNOS — CID 79601389

IUPAC1-amino-2-(4-bromothiophen-3-yl)propan-2-ol
SMILESCC(O)(CN)c1cscc1Br
InChIInChI=1S/C7H10BrNOS/c1-7(10,4-9)5-2-11-3-6(5)8/h2-3,10H,4,9H2,1H3
InChIKeyIMPWDWOQMOABTJ-UHFFFAOYSA-N
MW236.13 g/mol
LogP1.68
Rot. Bonds2

About 1-amino-2-(4-bromothiophen-3-yl)propan-2-ol

1-amino-2-(4-bromothiophen-3-yl)propan-2-ol (PubChem CID 79601389) has the molecular formula C7H10BrNOS and a molecular weight of 236.13 g/mol. Its IUPAC name is 1-amino-2-(4-bromothiophen-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(4-bromothiophen-3-yl)propan-2-ol
PubChem CID79601389
Molecular FormulaC7H10BrNOS
Molecular Weight236.13 g/mol
Exact Mass234.97
IUPAC Name1-amino-2-(4-bromothiophen-3-yl)propan-2-ol
SMILESCC(O)(CN)c1cscc1Br
InChIInChI=1S/C7H10BrNOS/c1-7(10,4-9)5-2-11-3-6(5)8/h2-3,10H,4,9H2,1H3
InChIKeyIMPWDWOQMOABTJ-UHFFFAOYSA-N
XLogP1.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-bromothiophen-3-yl)propan-2-ol?
The IUPAC name of 1-amino-2-(4-bromothiophen-3-yl)propan-2-ol (CID 79601389) is 1-amino-2-(4-bromothiophen-3-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(4-bromothiophen-3-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-(4-bromothiophen-3-yl)propan-2-ol is CC(O)(CN)c1cscc1Br.
What is the InChIKey of 1-amino-2-(4-bromothiophen-3-yl)propan-2-ol?
The InChIKey is IMPWDWOQMOABTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNOS/c1-7(10,4-9)5-2-11-3-6(5)8/h2-3,10H,4,9H2,1H3.
What are the key properties of 1-amino-2-(4-bromothiophen-3-yl)propan-2-ol?
1-amino-2-(4-bromothiophen-3-yl)propan-2-ol has a molecular weight of 236.13 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-bromothiophen-3-yl)propan-2-ol is sourced from PubChem (CID 79601389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).