N-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine

C13H11BrClNS2 — CID 143283402

IUPACN-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine
SMILESC=C(NSc1ccc(Br)s1)c1ccc(C)cc1Cl
InChIInChI=1S/C13H11BrClNS2/c1-8-3-4-10(11(15)7-8)9(2)16-18-13-6-5-12(14)17-13/h3-7,16H,2H2,1H3
InChIKeyRMISQJZWFPCJIZ-UHFFFAOYSA-N
MW360.73 g/mol
LogP5.74
Rot. Bonds4

About N-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine

N-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine (PubChem CID 143283402) has the molecular formula C13H11BrClNS2 and a molecular weight of 360.73 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine
PubChem CID143283402
Molecular FormulaC13H11BrClNS2
Molecular Weight360.73 g/mol
Exact Mass358.92
IUPAC NameN-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine
SMILESC=C(NSc1ccc(Br)s1)c1ccc(C)cc1Cl
InChIInChI=1S/C13H11BrClNS2/c1-8-3-4-10(11(15)7-8)9(2)16-18-13-6-5-12(14)17-13/h3-7,16H,2H2,1H3
InChIKeyRMISQJZWFPCJIZ-UHFFFAOYSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.73
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine?
The IUPAC name of N-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine (CID 143283402) is N-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine.
What is the SMILES notation for N-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine?
The canonical SMILES for N-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine is C=C(NSc1ccc(Br)s1)c1ccc(C)cc1Cl.
What is the InChIKey of N-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine?
The InChIKey is RMISQJZWFPCJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNS2/c1-8-3-4-10(11(15)7-8)9(2)16-18-13-6-5-12(14)17-13/h3-7,16H,2H2,1H3.
What are the key properties of N-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine?
N-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine has a molecular weight of 360.73 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine is sourced from PubChem (CID 143283402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).