[(6-chloro-3-pyridinyl)amino]methanethiol

C6H7ClN2S — CID 88611899

IUPAC[(6-chloro-3-pyridinyl)amino]methanethiol
SMILESSCNc1ccc(Cl)nc1
InChIInChI=1S/C6H7ClN2S/c7-6-2-1-5(3-8-6)9-4-10/h1-3,9-10H,4H2
InChIKeyZQUOOVBSDFIGTH-UHFFFAOYSA-N
MW174.66 g/mol
LogP2.03
Rot. Bonds2

About [(6-chloro-3-pyridinyl)amino]methanethiol

[(6-chloro-3-pyridinyl)amino]methanethiol (PubChem CID 88611899) has the molecular formula C6H7ClN2S and a molecular weight of 174.66 g/mol. Its IUPAC name is [(6-chloro-3-pyridinyl)amino]methanethiol.

Molecular Properties

Compound Name[(6-chloro-3-pyridinyl)amino]methanethiol
PubChem CID88611899
Molecular FormulaC6H7ClN2S
Molecular Weight174.66 g/mol
Exact Mass174.00
IUPAC Name[(6-chloro-3-pyridinyl)amino]methanethiol
SMILESSCNc1ccc(Cl)nc1
InChIInChI=1S/C6H7ClN2S/c7-6-2-1-5(3-8-6)9-4-10/h1-3,9-10H,4H2
InChIKeyZQUOOVBSDFIGTH-UHFFFAOYSA-N
XLogP2.03
TPSA24.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.66
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-3-pyridinyl)amino]ethanol
CID 118956304
6-chloro-N-cyclobutylpyridin-3-amine
CID 75525310
6-chloro-N-trimethylsilylpyridin-3-amine
CID 134860798
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 104877929
6-chloro-N-phenylpyridin-3-amine
CID 175055218
N-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide
CID 166948538
6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine
CID 97358406
6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine
CID 130506214
6-chloro-N-prop-1-en-2-ylpyridin-3-amine
CID 89013102
6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine
CID 90735208
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562
2-anilino-N-(6-chloro-3-pyridinyl)acetamide
CID 81489216

Frequently Asked Questions

What is the IUPAC name of [(6-chloro-3-pyridinyl)amino]methanethiol?
The IUPAC name of [(6-chloro-3-pyridinyl)amino]methanethiol (CID 88611899) is [(6-chloro-3-pyridinyl)amino]methanethiol.
What is the SMILES notation for [(6-chloro-3-pyridinyl)amino]methanethiol?
The canonical SMILES for [(6-chloro-3-pyridinyl)amino]methanethiol is SCNc1ccc(Cl)nc1.
What is the InChIKey of [(6-chloro-3-pyridinyl)amino]methanethiol?
The InChIKey is ZQUOOVBSDFIGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2S/c7-6-2-1-5(3-8-6)9-4-10/h1-3,9-10H,4H2.
What are the key properties of [(6-chloro-3-pyridinyl)amino]methanethiol?
[(6-chloro-3-pyridinyl)amino]methanethiol has a molecular weight of 174.66 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-chloro-3-pyridinyl)amino]methanethiol is sourced from PubChem (CID 88611899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).