[2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine

C15H16ClNS2 — CID 103288923

IUPAC[2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine
SMILESCSc1cccc(SCc2ccccc2Cl)c1CN
InChIInChI=1S/C15H16ClNS2/c1-18-14-7-4-8-15(12(14)9-17)19-10-11-5-2-3-6-13(11)16/h2-8H,9-10,17H2,1H3
InChIKeyIEVQTASFKMZMDQ-UHFFFAOYSA-N
MW309.89 g/mol
LogP4.81
Rot. Bonds5

About [2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine

[2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine (PubChem CID 103288923) has the molecular formula C15H16ClNS2 and a molecular weight of 309.89 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine
PubChem CID103288923
Molecular FormulaC15H16ClNS2
Molecular Weight309.89 g/mol
Exact Mass309.04
IUPAC Name[2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine
SMILESCSc1cccc(SCc2ccccc2Cl)c1CN
InChIInChI=1S/C15H16ClNS2/c1-18-14-7-4-8-15(12(14)9-17)19-10-11-5-2-3-6-13(11)16/h2-8H,9-10,17H2,1H3
InChIKeyIEVQTASFKMZMDQ-UHFFFAOYSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-6-methylsulfanylphenyl)methanamine
CID 62495314
(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-6-fluorophenyl]ethanamine
CID 103288688
1-chloro-2-(methylsulfanylmethyl)benzene;ethane
CID 162765163
[3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine
CID 103288916
1-[2-[(2-chlorophenyl)methylsulfanyl]phenyl]-N-methylethanamine
CID 103288708
CID 160556343
CID 160556343
(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
CID 103288661
1,3-dichloro-2-[(2-methylphenyl)sulfanylmethyl]benzene
CID 4991582
3-chloro-4-[(2-chlorophenyl)methylsulfanyl]benzoic acid
CID 103290020
2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine
CID 103290890
3-[(2-chlorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226526
2-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylphenyl)ethanamine
CID 103288338

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine?
The IUPAC name of [2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine (CID 103288923) is [2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine.
What is the SMILES notation for [2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine?
The canonical SMILES for [2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine is CSc1cccc(SCc2ccccc2Cl)c1CN.
What is the InChIKey of [2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine?
The InChIKey is IEVQTASFKMZMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS2/c1-18-14-7-4-8-15(12(14)9-17)19-10-11-5-2-3-6-13(11)16/h2-8H,9-10,17H2,1H3.
What are the key properties of [2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine?
[2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine has a molecular weight of 309.89 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine is sourced from PubChem (CID 103288923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).