4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine

C9H6BrClN4S — CID 80888001

IUPAC4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Sc2ccccc2Br)n1
InChIInChI=1S/C9H6BrClN4S/c10-5-3-1-2-4-6(5)16-9-14-7(11)13-8(12)15-9/h1-4H,(H2,12,13,14,15)
InChIKeyAUKLDURPQPOBQX-UHFFFAOYSA-N
MW317.60 g/mol
LogP3.02
Rot. Bonds2

About 4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine

4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine (PubChem CID 80888001) has the molecular formula C9H6BrClN4S and a molecular weight of 317.60 g/mol. Its IUPAC name is 4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine
PubChem CID80888001
Molecular FormulaC9H6BrClN4S
Molecular Weight317.60 g/mol
Exact Mass315.92
IUPAC Name4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Sc2ccccc2Br)n1
InChIInChI=1S/C9H6BrClN4S/c10-5-3-1-2-4-6(5)16-9-14-7(11)13-8(12)15-9/h1-4H,(H2,12,13,14,15)
InChIKeyAUKLDURPQPOBQX-UHFFFAOYSA-N
XLogP3.02
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine (CID 80888001) is 4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(Sc2ccccc2Br)n1.
What is the InChIKey of 4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine?
The InChIKey is AUKLDURPQPOBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN4S/c10-5-3-1-2-4-6(5)16-9-14-7(11)13-8(12)15-9/h1-4H,(H2,12,13,14,15).
What are the key properties of 4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine?
4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine has a molecular weight of 317.60 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 80888001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).