methanedithioic acid;pyridine

C6H7NS2 — CID 87472654

IUPACmethanedithioic acid;pyridine
SMILESS=CS.c1ccncc1
InChIInChI=1S/C5H5N.CH2S2/c1-2-4-6-5-3-1;2-1-3/h1-5H;1H,(H,2,3)
InChIKeyFBWHKOJTKSBFJS-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.96
Rot. Bonds

About methanedithioic acid;pyridine

methanedithioic acid;pyridine (PubChem CID 87472654) has the molecular formula C6H7NS2 and a molecular weight of 157.26 g/mol. Its IUPAC name is methanedithioic acid;pyridine.

Molecular Properties

Compound Namemethanedithioic acid;pyridine
PubChem CID87472654
Molecular FormulaC6H7NS2
Molecular Weight157.26 g/mol
Exact Mass157.00
IUPAC Namemethanedithioic acid;pyridine
SMILESS=CS.c1ccncc1
InChIInChI=1S/C5H5N.CH2S2/c1-2-4-6-5-3-1;2-1-3/h1-5H;1H,(H,2,3)
InChIKeyFBWHKOJTKSBFJS-UHFFFAOYSA-N
XLogP1.96
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methanethioic S-acid;pyridine
CID 163488022
1,5-diazecine
CID 53440348
pyridine
CID 67755510
pyridine
CID 160878650
pyridine;titanium
CID 87570870
cobalt(2+);bis(pyridine)
CID 71357223
pyrazine;bis(pyridine)
CID 159366306
cadmium(2+);pyridine;chloride
CID 21144711
pyridine bromide
CID 19422742
chromium;bis(pyridine)
CID 14201778
iridium(3+);tris(pyridine)
CID 22020171
CID 70045472
CID 70045472

Frequently Asked Questions

What is the IUPAC name of methanedithioic acid;pyridine?
The IUPAC name of methanedithioic acid;pyridine (CID 87472654) is methanedithioic acid;pyridine.
What is the SMILES notation for methanedithioic acid;pyridine?
The canonical SMILES for methanedithioic acid;pyridine is S=CS.c1ccncc1.
What is the InChIKey of methanedithioic acid;pyridine?
The InChIKey is FBWHKOJTKSBFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.CH2S2/c1-2-4-6-5-3-1;2-1-3/h1-5H;1H,(H,2,3).
What are the key properties of methanedithioic acid;pyridine?
methanedithioic acid;pyridine has a molecular weight of 157.26 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanedithioic acid;pyridine is sourced from PubChem (CID 87472654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).