sulfanylmethanethione

CHS2- — CID 54696262

IUPACsulfanylmethanethione
SMILESS=[C-]S
InChIInChI=1S/CHS2/c2-1-3/h(H,2,3)/q-1
InChIKeyAUNCLDTTWCTROM-UHFFFAOYSA-N
MW77.15 g/mol
LogP0.75
Rot. Bonds

About sulfanylmethanethione

sulfanylmethanethione (PubChem CID 54696262) has the molecular formula CHS2- and a molecular weight of 77.15 g/mol. Its IUPAC name is sulfanylmethanethione.

Molecular Properties

Compound Namesulfanylmethanethione
PubChem CID54696262
Molecular FormulaCHS2-
Molecular Weight77.15 g/mol
Exact Mass76.95
IUPAC Namesulfanylmethanethione
SMILESS=[C-]S
InChIInChI=1S/CHS2/c2-1-3/h(H,2,3)/q-1
InChIKeyAUNCLDTTWCTROM-UHFFFAOYSA-N
XLogP0.75
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.15
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sulfanylmethanethione?
The IUPAC name of sulfanylmethanethione (CID 54696262) is sulfanylmethanethione.
What is the SMILES notation for sulfanylmethanethione?
The canonical SMILES for sulfanylmethanethione is S=[C-]S.
What is the InChIKey of sulfanylmethanethione?
The InChIKey is AUNCLDTTWCTROM-UHFFFAOYSA-N. The full InChI is InChI=1S/CHS2/c2-1-3/h(H,2,3)/q-1.
What are the key properties of sulfanylmethanethione?
sulfanylmethanethione has a molecular weight of 77.15 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanylmethanethione is sourced from PubChem (CID 54696262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).