amino(pyridin-3-yl)methanethiol

C6H8N2S — CID 116939546

IUPACamino(pyridin-3-yl)methanethiol
SMILESNC(S)c1cccnc1
InChIInChI=1S/C6H8N2S/c7-6(9)5-2-1-3-8-4-5/h1-4,6,9H,7H2
InChIKeyFNWRZJSHJIXOOI-UHFFFAOYSA-N
MW140.21 g/mol
LogP0.97
Rot. Bonds1

About amino(pyridin-3-yl)methanethiol

amino(pyridin-3-yl)methanethiol (PubChem CID 116939546) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is amino(pyridin-3-yl)methanethiol.

Molecular Properties

Compound Nameamino(pyridin-3-yl)methanethiol
PubChem CID116939546
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Nameamino(pyridin-3-yl)methanethiol
SMILESNC(S)c1cccnc1
InChIInChI=1S/C6H8N2S/c7-6(9)5-2-1-3-8-4-5/h1-4,6,9H,7H2
InChIKeyFNWRZJSHJIXOOI-UHFFFAOYSA-N
XLogP0.97
TPSA38.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
3-(1,2,2-trifluoroethyl)pyridine
CID 175405303
(1R)-3-fluoro-1-pyridin-3-ylpropan-1-amine;hydrochloride
CID 171201508
(2,6-dichlorophenyl)-pyridin-3-ylmethanamine
CID 115799088
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
2-amino-2-pyridin-3-ylethanol
CID 2734590
2,2-diphenyl-1-pyridin-3-ylethanamine
CID 60923262
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795

Frequently Asked Questions

What is the IUPAC name of amino(pyridin-3-yl)methanethiol?
The IUPAC name of amino(pyridin-3-yl)methanethiol (CID 116939546) is amino(pyridin-3-yl)methanethiol.
What is the SMILES notation for amino(pyridin-3-yl)methanethiol?
The canonical SMILES for amino(pyridin-3-yl)methanethiol is NC(S)c1cccnc1.
What is the InChIKey of amino(pyridin-3-yl)methanethiol?
The InChIKey is FNWRZJSHJIXOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c7-6(9)5-2-1-3-8-4-5/h1-4,6,9H,7H2.
What are the key properties of amino(pyridin-3-yl)methanethiol?
amino(pyridin-3-yl)methanethiol has a molecular weight of 140.21 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(pyridin-3-yl)methanethiol is sourced from PubChem (CID 116939546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).