(2-chloro-6-methylsulfanylphenyl)methanamine

C8H10ClNS — CID 62495314

IUPAC(2-chloro-6-methylsulfanylphenyl)methanamine
SMILESCSc1cccc(Cl)c1CN
InChIInChI=1S/C8H10ClNS/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyGAGQVRWIKDIHMX-UHFFFAOYSA-N
MW187.70 g/mol
LogP2.52
Rot. Bonds2

About (2-chloro-6-methylsulfanylphenyl)methanamine

(2-chloro-6-methylsulfanylphenyl)methanamine (PubChem CID 62495314) has the molecular formula C8H10ClNS and a molecular weight of 187.70 g/mol. Its IUPAC name is (2-chloro-6-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-6-methylsulfanylphenyl)methanamine
PubChem CID62495314
Molecular FormulaC8H10ClNS
Molecular Weight187.70 g/mol
Exact Mass187.02
IUPAC Name(2-chloro-6-methylsulfanylphenyl)methanamine
SMILESCSc1cccc(Cl)c1CN
InChIInChI=1S/C8H10ClNS/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyGAGQVRWIKDIHMX-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.70
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine
CID 103288923
[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine
CID 62495474
[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
CID 62497494
[2-chloro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 62496319
[2-chloro-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 62497328
CID 160556343
CID 160556343
1-chloro-2-(chloromethyl)-3-(2-methylsulfanylphenoxy)benzene
CID 63648869
[2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine
CID 62720819
2-(2,6-dichlorophenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115830311
[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117428108
[2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine
CID 55079140
2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine
CID 63835994

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylsulfanylphenyl)methanamine?
The IUPAC name of (2-chloro-6-methylsulfanylphenyl)methanamine (CID 62495314) is (2-chloro-6-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (2-chloro-6-methylsulfanylphenyl)methanamine?
The canonical SMILES for (2-chloro-6-methylsulfanylphenyl)methanamine is CSc1cccc(Cl)c1CN.
What is the InChIKey of (2-chloro-6-methylsulfanylphenyl)methanamine?
The InChIKey is GAGQVRWIKDIHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,5,10H2,1H3.
What are the key properties of (2-chloro-6-methylsulfanylphenyl)methanamine?
(2-chloro-6-methylsulfanylphenyl)methanamine has a molecular weight of 187.70 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 62495314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).