3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione

C11H11ClN2S2 — CID 87207702

IUPAC3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione
SMILESCN(Cc1ccc(Cl)nc1)C1=CC(=S)SC1
InChIInChI=1S/C11H11ClN2S2/c1-14(9-4-11(15)16-7-9)6-8-2-3-10(12)13-5-8/h2-5H,6-7H2,1H3
InChIKeyFKGNRRQCVCTPOF-UHFFFAOYSA-N
MW270.81 g/mol
LogP3.12
Rot. Bonds3

About 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione

3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione (PubChem CID 87207702) has the molecular formula C11H11ClN2S2 and a molecular weight of 270.81 g/mol. Its IUPAC name is 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione.

Molecular Properties

Compound Name3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione
PubChem CID87207702
Molecular FormulaC11H11ClN2S2
Molecular Weight270.81 g/mol
Exact Mass270.01
IUPAC Name3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione
SMILESCN(Cc1ccc(Cl)nc1)C1=CC(=S)SC1
InChIInChI=1S/C11H11ClN2S2/c1-14(9-4-11(15)16-7-9)6-8-2-3-10(12)13-5-8/h2-5H,6-7H2,1H3
InChIKeyFKGNRRQCVCTPOF-UHFFFAOYSA-N
XLogP3.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
CID 50948120
(6-chloro-3-pyridinyl)methyl-methylcyanamide
CID 119085201
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63866570
3-[(6-chloro-3-pyridinyl)methyl-methylamino]but-2-enenitrile
CID 74600450
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine
CID 89003402
3-[(6-chloro-3-pyridinyl)methyl-methylamino]-4-fluoro-2H-furan-5-one
CID 59843566
4-N-[(6-chloro-3-pyridinyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121749
1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115750745
4-[(6-chloro-3-pyridinyl)methyl]-1,2-dihydropyrrole-5-thione
CID 18759785
3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 111543545

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione?
The IUPAC name of 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione (CID 87207702) is 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione.
What is the SMILES notation for 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione?
The canonical SMILES for 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione is CN(Cc1ccc(Cl)nc1)C1=CC(=S)SC1.
What is the InChIKey of 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione?
The InChIKey is FKGNRRQCVCTPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S2/c1-14(9-4-11(15)16-7-9)6-8-2-3-10(12)13-5-8/h2-5H,6-7H2,1H3.
What are the key properties of 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione?
3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione has a molecular weight of 270.81 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-thiophene-5-thione is sourced from PubChem (CID 87207702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).