N-(2,6-dibromo-4-methylphenyl)thian-4-amine

C12H15Br2NS — CID 43511376

IUPACN-(2,6-dibromo-4-methylphenyl)thian-4-amine
SMILESCc1cc(Br)c(NC2CCSCC2)c(Br)c1
InChIInChI=1S/C12H15Br2NS/c1-8-6-10(13)12(11(14)7-8)15-9-2-4-16-5-3-9/h6-7,9,15H,2-5H2,1H3
InChIKeyWNMAABCRWZVFQL-UHFFFAOYSA-N
MW365.13 g/mol
LogP4.83
Rot. Bonds2

About N-(2,6-dibromo-4-methylphenyl)thian-4-amine

N-(2,6-dibromo-4-methylphenyl)thian-4-amine (PubChem CID 43511376) has the molecular formula C12H15Br2NS and a molecular weight of 365.13 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)thian-4-amine.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)thian-4-amine
PubChem CID43511376
Molecular FormulaC12H15Br2NS
Molecular Weight365.13 g/mol
Exact Mass362.93
IUPAC NameN-(2,6-dibromo-4-methylphenyl)thian-4-amine
SMILESCc1cc(Br)c(NC2CCSCC2)c(Br)c1
InChIInChI=1S/C12H15Br2NS/c1-8-6-10(13)12(11(14)7-8)15-9-2-4-16-5-3-9/h6-7,9,15H,2-5H2,1H3
InChIKeyWNMAABCRWZVFQL-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.13
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)thian-4-amine?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)thian-4-amine (CID 43511376) is N-(2,6-dibromo-4-methylphenyl)thian-4-amine.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)thian-4-amine?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)thian-4-amine is Cc1cc(Br)c(NC2CCSCC2)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)thian-4-amine?
The InChIKey is WNMAABCRWZVFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NS/c1-8-6-10(13)12(11(14)7-8)15-9-2-4-16-5-3-9/h6-7,9,15H,2-5H2,1H3.
What are the key properties of N-(2,6-dibromo-4-methylphenyl)thian-4-amine?
N-(2,6-dibromo-4-methylphenyl)thian-4-amine has a molecular weight of 365.13 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)thian-4-amine is sourced from PubChem (CID 43511376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).