3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol

C10H14BrNOS — CID 66103687

IUPAC3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol
SMILESCC(CCO)Sc1ccc(Br)cc1N
InChIInChI=1S/C10H14BrNOS/c1-7(4-5-13)14-10-3-2-8(11)6-9(10)12/h2-3,6-7,13H,4-5,12H2,1H3
InChIKeyUGKYUIGJYRIZCZ-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.89
Rot. Bonds4

About 3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol

3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol (PubChem CID 66103687) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol
PubChem CID66103687
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol
SMILESCC(CCO)Sc1ccc(Br)cc1N
InChIInChI=1S/C10H14BrNOS/c1-7(4-5-13)14-10-3-2-8(11)6-9(10)12/h2-3,6-7,13H,4-5,12H2,1H3
InChIKeyUGKYUIGJYRIZCZ-UHFFFAOYSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide
CID 63590454
methyl 3-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzoate
CID 66136835
3-amino-4-(4-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbenzamide
CID 82989699
3-[4-(1-aminoethyl)-2-bromophenyl]sulfanylbutan-1-ol
CID 66137471
3-amino-N-ethyl-4-(4-hydroxybutan-2-ylsulfanyl)benzamide
CID 83000510
2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide
CID 43306070
4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol
CID 66089189
3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405899
2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide
CID 63589381
2-(2-amino-4-bromophenyl)sulfanyl-3-methoxypropanoic acid
CID 103224265
3-(5-bromopyrimidin-2-yl)sulfanylbutan-1-ol
CID 66136090
3-[2-fluoro-4-(trifluoromethyl)phenyl]sulfanylbutan-1-ol
CID 107303712

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol?
The IUPAC name of 3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol (CID 66103687) is 3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol.
What is the SMILES notation for 3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol?
The canonical SMILES for 3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol is CC(CCO)Sc1ccc(Br)cc1N.
What is the InChIKey of 3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol?
The InChIKey is UGKYUIGJYRIZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-7(4-5-13)14-10-3-2-8(11)6-9(10)12/h2-3,6-7,13H,4-5,12H2,1H3.
What are the key properties of 3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol?
3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol has a molecular weight of 276.20 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol is sourced from PubChem (CID 66103687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).