molecular hydrogen;1H-pyridine-2-thione

C5H7NS — CID 174536001

IUPACmolecular hydrogen;1H-pyridine-2-thione
SMILESS=c1cccc[nH]1.[H][H]
InChIInChI=1S/C5H5NS.H2/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);1H
InChIKeyWSSIKLPMTOMCEW-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.99
Rot. Bonds

About molecular hydrogen;1H-pyridine-2-thione

molecular hydrogen;1H-pyridine-2-thione (PubChem CID 174536001) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is molecular hydrogen;1H-pyridine-2-thione.

Molecular Properties

Compound Namemolecular hydrogen;1H-pyridine-2-thione
PubChem CID174536001
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Namemolecular hydrogen;1H-pyridine-2-thione
SMILESS=c1cccc[nH]1.[H][H]
InChIInChI=1S/C5H5NS.H2/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);1H
InChIKeyWSSIKLPMTOMCEW-UHFFFAOYSA-N
XLogP1.99
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 131858183
CID 131858183
1H-pyridine-2-thione;3-sulfanylpropanoic acid
CID 145287515
1H-pyridine-2-thione;2-sulfanylethyl acetate
CID 144947757
(213C)1H-pyridin-2-one
CID 12998482
1H-pyridin-2-one
CID 157260165
(211C)1H-pyridin-2-one
CID 11788262
1H-pyridine-2-thione;3-sulfanylpropyl prop-2-enoate
CID 174637871
2-methyl-1H-pyrrole;molecular hydrogen
CID 142051873
hydron;1H-pyridin-2-one
CID 131852568
1H-pyridin-2-one;titanium;hydrate
CID 87617254
2-borylpyrrole
CID 57423148
2-sulfinyl-1H-pyridine
CID 19835236

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1H-pyridine-2-thione?
The IUPAC name of molecular hydrogen;1H-pyridine-2-thione (CID 174536001) is molecular hydrogen;1H-pyridine-2-thione.
What is the SMILES notation for molecular hydrogen;1H-pyridine-2-thione?
The canonical SMILES for molecular hydrogen;1H-pyridine-2-thione is S=c1cccc[nH]1.[H][H].
What is the InChIKey of molecular hydrogen;1H-pyridine-2-thione?
The InChIKey is WSSIKLPMTOMCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NS.H2/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);1H.
What are the key properties of molecular hydrogen;1H-pyridine-2-thione?
molecular hydrogen;1H-pyridine-2-thione has a molecular weight of 113.18 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1H-pyridine-2-thione is sourced from PubChem (CID 174536001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).