5-chloro-N-methyl-2-methylsulfanylaniline

C8H10ClNS — CID 82264896

IUPAC5-chloro-N-methyl-2-methylsulfanylaniline
SMILESCNc1cc(Cl)ccc1SC
InChIInChI=1S/C8H10ClNS/c1-10-7-5-6(9)3-4-8(7)11-2/h3-5,10H,1-2H3
InChIKeyTYHXWFMLSOLRFA-UHFFFAOYSA-N
MW187.69 g/mol
LogP3.10
Rot. Bonds2

About 5-chloro-N-methyl-2-methylsulfanylaniline

5-chloro-N-methyl-2-methylsulfanylaniline (PubChem CID 82264896) has the molecular formula C8H10ClNS and a molecular weight of 187.69 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-methylsulfanylaniline.

Molecular Properties

Compound Name5-chloro-N-methyl-2-methylsulfanylaniline
PubChem CID82264896
Molecular FormulaC8H10ClNS
Molecular Weight187.69 g/mol
Exact Mass187.02
IUPAC Name5-chloro-N-methyl-2-methylsulfanylaniline
SMILESCNc1cc(Cl)ccc1SC
InChIInChI=1S/C8H10ClNS/c1-10-7-5-6(9)3-4-8(7)11-2/h3-5,10H,1-2H3
InChIKeyTYHXWFMLSOLRFA-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.69
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methylsulfanylphenyl)hydrazine;hydrochloride
CID 69183681
4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine
CID 12589570
5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline
CID 130412201
5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline
CID 130412263
5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline
CID 130905382
2,4-dichloro-N-methylaniline
CID 2800935
5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline
CID 142898603
5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline
CID 115744120
(5-chloro-2-methylsulfanylphenyl)methanediol
CID 90940010
4-chloro-N-methyl-2-(trifluoromethylsulfanyl)aniline
CID 170898433
(5-chloro-2-methylsulfanylphenyl)methanol
CID 83802070
4-chloro-2-methylsulfanylphenol
CID 13199339

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-methylsulfanylaniline?
The IUPAC name of 5-chloro-N-methyl-2-methylsulfanylaniline (CID 82264896) is 5-chloro-N-methyl-2-methylsulfanylaniline.
What is the SMILES notation for 5-chloro-N-methyl-2-methylsulfanylaniline?
The canonical SMILES for 5-chloro-N-methyl-2-methylsulfanylaniline is CNc1cc(Cl)ccc1SC.
What is the InChIKey of 5-chloro-N-methyl-2-methylsulfanylaniline?
The InChIKey is TYHXWFMLSOLRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c1-10-7-5-6(9)3-4-8(7)11-2/h3-5,10H,1-2H3.
What are the key properties of 5-chloro-N-methyl-2-methylsulfanylaniline?
5-chloro-N-methyl-2-methylsulfanylaniline has a molecular weight of 187.69 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-methylsulfanylaniline is sourced from PubChem (CID 82264896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).