6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine

C13H14N2S2 — CID 43301285

IUPAC6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine
SMILESCSc1ccc(CSc2ccc(N)cn2)cc1
InChIInChI=1S/C13H14N2S2/c1-16-12-5-2-10(3-6-12)9-17-13-7-4-11(14)8-15-13/h2-8H,9,14H2,1H3
InChIKeyLBLGMEZTKWVOSD-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.68
Rot. Bonds4

About 6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine

6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 43301285) has the molecular formula C13H14N2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine
PubChem CID43301285
Molecular FormulaC13H14N2S2
Molecular Weight262.40 g/mol
Exact Mass262.06
IUPAC Name6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine
SMILESCSc1ccc(CSc2ccc(N)cn2)cc1
InChIInChI=1S/C13H14N2S2/c1-16-12-5-2-10(3-6-12)9-17-13-7-4-11(14)8-15-13/h2-8H,9,14H2,1H3
InChIKeyLBLGMEZTKWVOSD-UHFFFAOYSA-N
XLogP3.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 43301491
6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 43301402
6-methylsulfanylpyridin-3-amine
CID 10261179
2-[(4-methylsulfanylphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7561735
6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 43301251
2-benzylsulfanyl-5-nitropyridine;6-benzylsulfanylpyridin-3-amine
CID 167555287
6-[(2-methyl-1,3-thiazol-5-yl)methylsulfanyl]pyridin-3-amine
CID 63021346
6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 102616314
6-(2-aminopropylsulfanyl)pyridin-3-amine
CID 102689492
6-[(4-methoxy-3-nitrophenyl)methylsulfanyl]pyridin-3-amine
CID 43301452
6-(2-fluoroethylsulfanyl)pyridin-3-amine
CID 80694256
1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol
CID 60884000

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine (CID 43301285) is 6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine is CSc1ccc(CSc2ccc(N)cn2)cc1.
What is the InChIKey of 6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is LBLGMEZTKWVOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S2/c1-16-12-5-2-10(3-6-12)9-17-13-7-4-11(14)8-15-13/h2-8H,9,14H2,1H3.
What are the key properties of 6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine?
6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43301285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).