di(35Cl)chloromethanethione

CCl2S — CID 177458356

IUPACdi(35Cl)chloromethanethione
SMILESS=C([35Cl])[35Cl]
InChIInChI=1S/CCl2S/c2-1(3)4/i2+0,3+0
InChIKeyZWZVWGITAAIFPS-VTTDIVQUSA-N
MW114.02 g/mol
LogP1.75
Rot. Bonds

About di(35Cl)chloromethanethione

di(35Cl)chloromethanethione (PubChem CID 177458356) has the molecular formula CCl2S and a molecular weight of 114.02 g/mol. Its IUPAC name is di(35Cl)chloromethanethione.

Molecular Properties

Compound Namedi(35Cl)chloromethanethione
PubChem CID177458356
Molecular FormulaCCl2S
Molecular Weight114.02 g/mol
Exact Mass113.91
IUPAC Namedi(35Cl)chloromethanethione
SMILESS=C([35Cl])[35Cl]
InChIInChI=1S/CCl2S/c2-1(3)4/i2+0,3+0
InChIKeyZWZVWGITAAIFPS-VTTDIVQUSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.02
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of di(35Cl)chloromethanethione?
The IUPAC name of di(35Cl)chloromethanethione (CID 177458356) is di(35Cl)chloromethanethione.
What is the SMILES notation for di(35Cl)chloromethanethione?
The canonical SMILES for di(35Cl)chloromethanethione is S=C([35Cl])[35Cl].
What is the InChIKey of di(35Cl)chloromethanethione?
The InChIKey is ZWZVWGITAAIFPS-VTTDIVQUSA-N. The full InChI is InChI=1S/CCl2S/c2-1(3)4/i2+0,3+0.
What are the key properties of di(35Cl)chloromethanethione?
di(35Cl)chloromethanethione has a molecular weight of 114.02 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(35Cl)chloromethanethione is sourced from PubChem (CID 177458356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).