N-(5-bromo-2-chlorophenyl)thian-3-amine

C11H13BrClNS — CID 62913384

IUPACN-(5-bromo-2-chlorophenyl)thian-3-amine
SMILESClc1ccc(Br)cc1NC1CCCSC1
InChIInChI=1S/C11H13BrClNS/c12-8-3-4-10(13)11(6-8)14-9-2-1-5-15-7-9/h3-4,6,9,14H,1-2,5,7H2
InChIKeyLNJCVYCRMIVHIM-UHFFFAOYSA-N
MW306.66 g/mol
LogP4.41
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)thian-3-amine

N-(5-bromo-2-chlorophenyl)thian-3-amine (PubChem CID 62913384) has the molecular formula C11H13BrClNS and a molecular weight of 306.66 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)thian-3-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)thian-3-amine
PubChem CID62913384
Molecular FormulaC11H13BrClNS
Molecular Weight306.66 g/mol
Exact Mass304.96
IUPAC NameN-(5-bromo-2-chlorophenyl)thian-3-amine
SMILESClc1ccc(Br)cc1NC1CCCSC1
InChIInChI=1S/C11H13BrClNS/c12-8-3-4-10(13)11(6-8)14-9-2-1-5-15-7-9/h3-4,6,9,14H,1-2,5,7H2
InChIKeyLNJCVYCRMIVHIM-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.66
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-chlorophenyl)thietan-3-amine
CID 130870688
N-(5-bromo-2-chlorophenyl)cycloheptanamine
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N-(4-bromo-2-methylphenyl)thian-3-amine
CID 62872313
N-(2-chloro-5-methoxyphenyl)thian-3-amine
CID 62871830
(3S)-N-(2-chlorophenyl)thian-3-amine
CID 94885671
N-(5-bromo-2-chlorophenyl)piperidin-3-amine
CID 62913938
N-(5-bromo-2-chlorophenyl)oxepan-4-amine
CID 65079704
4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine
CID 79741139
N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine
CID 79949965
3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine
CID 79461483
5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline
CID 64744650
N-[4-chloro-3-(trifluoromethyl)phenyl]thian-3-amine
CID 55129445

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)thian-3-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)thian-3-amine (CID 62913384) is N-(5-bromo-2-chlorophenyl)thian-3-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)thian-3-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)thian-3-amine is Clc1ccc(Br)cc1NC1CCCSC1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)thian-3-amine?
The InChIKey is LNJCVYCRMIVHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNS/c12-8-3-4-10(13)11(6-8)14-9-2-1-5-15-7-9/h3-4,6,9,14H,1-2,5,7H2.
What are the key properties of N-(5-bromo-2-chlorophenyl)thian-3-amine?
N-(5-bromo-2-chlorophenyl)thian-3-amine has a molecular weight of 306.66 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)thian-3-amine is sourced from PubChem (CID 62913384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).