1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine

C13H13Br2NS2 — CID 66143479

IUPAC1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine
SMILESNC(CSc1ccccc1Br)Cc1cc(Br)cs1
InChIInChI=1S/C13H13Br2NS2/c14-9-5-11(17-7-9)6-10(16)8-18-13-4-2-1-3-12(13)15/h1-5,7,10H,6,8,16H2
InChIKeyVDDHXYNGEBZTOV-UHFFFAOYSA-N
MW407.20 g/mol
LogP4.94
Rot. Bonds5

About 1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine

1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine (PubChem CID 66143479) has the molecular formula C13H13Br2NS2 and a molecular weight of 407.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine
PubChem CID66143479
Molecular FormulaC13H13Br2NS2
Molecular Weight407.20 g/mol
Exact Mass404.89
IUPAC Name1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine
SMILESNC(CSc1ccccc1Br)Cc1cc(Br)cs1
InChIInChI=1S/C13H13Br2NS2/c14-9-5-11(17-7-9)6-10(16)8-18-13-4-2-1-3-12(13)15/h1-5,7,10H,6,8,16H2
InChIKeyVDDHXYNGEBZTOV-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.20
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823615
1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 66145230
1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine
CID 66144457
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66143280
1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine
CID 105139176
1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine
CID 82922352
1-(2-bromophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876530
1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 114886786
1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098427
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098425
1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine
CID 63537578
1-(2-bromophenyl)sulfanyl-3,3-dimethylbutan-2-amine
CID 64613503

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine (CID 66143479) is 1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine is NC(CSc1ccccc1Br)Cc1cc(Br)cs1.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine?
The InChIKey is VDDHXYNGEBZTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NS2/c14-9-5-11(17-7-9)6-10(16)8-18-13-4-2-1-3-12(13)15/h1-5,7,10H,6,8,16H2.
What are the key properties of 1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine?
1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine has a molecular weight of 407.20 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine is sourced from PubChem (CID 66143479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).