N-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline

C11H10BrNS2 — CID 162732190

IUPACN-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline
SMILESCc1ccc(NSc2ccc(Br)s2)cc1
InChIInChI=1S/C11H10BrNS2/c1-8-2-4-9(5-3-8)13-15-11-7-6-10(12)14-11/h2-7,13H,1H3
InChIKeyUXNNNYVGQRAMCH-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.94
Rot. Bonds3

About N-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline

N-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline (PubChem CID 162732190) has the molecular formula C11H10BrNS2 and a molecular weight of 300.25 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline
PubChem CID162732190
Molecular FormulaC11H10BrNS2
Molecular Weight300.25 g/mol
Exact Mass298.94
IUPAC NameN-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline
SMILESCc1ccc(NSc2ccc(Br)s2)cc1
InChIInChI=1S/C11H10BrNS2/c1-8-2-4-9(5-3-8)13-15-11-7-6-10(12)14-11/h2-7,13H,1H3
InChIKeyUXNNNYVGQRAMCH-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.94
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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Related Compounds

4-methyl-N-thiophen-2-ylsulfanylaniline
CID 142220690
N-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide
CID 143283401
N-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine
CID 143283402
2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine
CID 117032570
(5-bromothiophen-2-yl)sulfanylmethanethiol
CID 117033712
N-(fluoromethylsulfanyl)-4-methylaniline
CID 89407313
N-[3-(4-bromoanilino)sulfanylphenyl]formamide;1,4-xylene
CID 170977109
N-bromo-4-methylaniline;hydrochloride
CID 175327592
1-methyl-2-(4-methylphenyl)hydrazine;propane
CID 144808247
4-methyl-N-(1,1,2,2,2-pentachloroethylsulfanyl)aniline
CID 177414419
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline
CID 156859678

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline?
The IUPAC name of N-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline (CID 162732190) is N-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline.
What is the SMILES notation for N-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline?
The canonical SMILES for N-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline is Cc1ccc(NSc2ccc(Br)s2)cc1.
What is the InChIKey of N-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline?
The InChIKey is UXNNNYVGQRAMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNS2/c1-8-2-4-9(5-3-8)13-15-11-7-6-10(12)14-11/h2-7,13H,1H3.
What are the key properties of N-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline?
N-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline has a molecular weight of 300.25 g/mol, XLogP of 4.94, 3 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-4-methylaniline is sourced from PubChem (CID 162732190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).