3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol

C11H8Br3NOS — CID 171216422

IUPAC3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol
SMILESN[C@H](c1ccsc1)c1c(Br)cc(Br)c(O)c1Br
InChIInChI=1S/C11H8Br3NOS/c12-6-3-7(13)11(16)9(14)8(6)10(15)5-1-2-17-4-5/h1-4,10,16H,15H2/t10-/m1/s1
InChIKeyXSMZACHXVRVEDS-SNVBAGLBSA-N
MW441.97 g/mol
LogP4.79
Rot. Bonds2

About 3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol

3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol (PubChem CID 171216422) has the molecular formula C11H8Br3NOS and a molecular weight of 441.97 g/mol. Its IUPAC name is 3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol.

Molecular Properties

Compound Name3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol
PubChem CID171216422
Molecular FormulaC11H8Br3NOS
Molecular Weight441.97 g/mol
Exact Mass438.79
IUPAC Name3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol
SMILESN[C@H](c1ccsc1)c1c(Br)cc(Br)c(O)c1Br
InChIInChI=1S/C11H8Br3NOS/c12-6-3-7(13)11(16)9(14)8(6)10(15)5-1-2-17-4-5/h1-4,10,16H,15H2/t10-/m1/s1
InChIKeyXSMZACHXVRVEDS-SNVBAGLBSA-N
XLogP4.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.97
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol
CID 171200005
2-[(S)-amino(thiophen-3-yl)methyl]benzene-1,3,5-triol;hydrochloride
CID 171217050
4-[(S)-amino(thiophen-3-yl)methyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171206578
(R)-(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanamine
CID 171203659
4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride
CID 171235478
(S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine
CID 171210488
3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride
CID 171245096
(S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210314
(2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile
CID 130943688
(S)-(3-bromophenyl)-thiophen-3-ylmethanamine
CID 171199224
3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171218066
3-[(S)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171198549

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol?
The IUPAC name of 3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol (CID 171216422) is 3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol.
What is the SMILES notation for 3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol?
The canonical SMILES for 3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol is N[C@H](c1ccsc1)c1c(Br)cc(Br)c(O)c1Br.
What is the InChIKey of 3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol?
The InChIKey is XSMZACHXVRVEDS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H8Br3NOS/c12-6-3-7(13)11(16)9(14)8(6)10(15)5-1-2-17-4-5/h1-4,10,16H,15H2/t10-/m1/s1.
What are the key properties of 3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol?
3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol has a molecular weight of 441.97 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol is sourced from PubChem (CID 171216422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).