3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol

C7H9Br2NOS — CID 80538163

IUPAC3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol
SMILESNCCC(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C7H9Br2NOS/c8-4-3-6(12-7(4)9)5(11)1-2-10/h3,5,11H,1-2,10H2
InChIKeyAKRJHYSTDVUVTO-UHFFFAOYSA-N
MW315.03 g/mol
LogP2.66
Rot. Bonds3

About 3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol

3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol (PubChem CID 80538163) has the molecular formula C7H9Br2NOS and a molecular weight of 315.03 g/mol. Its IUPAC name is 3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol
PubChem CID80538163
Molecular FormulaC7H9Br2NOS
Molecular Weight315.03 g/mol
Exact Mass312.88
IUPAC Name3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol
SMILESNCCC(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C7H9Br2NOS/c8-4-3-6(12-7(4)9)5(11)1-2-10/h3,5,11H,1-2,10H2
InChIKeyAKRJHYSTDVUVTO-UHFFFAOYSA-N
XLogP2.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.03
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol (CID 80538163) is 3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol is NCCC(O)c1cc(Br)c(Br)s1.
What is the InChIKey of 3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol?
The InChIKey is AKRJHYSTDVUVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br2NOS/c8-4-3-6(12-7(4)9)5(11)1-2-10/h3,5,11H,1-2,10H2.
What are the key properties of 3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol?
3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol has a molecular weight of 315.03 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 80538163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).