benzene;tin(2+);chloride;isothiocyanate

C13H12ClNSSn — CID 171375433

IUPACbenzene;tin(2+);chloride;isothiocyanate
SMILES[Cl-].[N-]=C=S.[Sn+2].c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.CNS.ClH.Sn/c2*1-2-4-6-5-3-1;2-1-3;;/h2*1-6H;;1H;/q;;-1;;+2/p-1
InChIKeyVIXRICXNHWPHGI-UHFFFAOYSA-M
MW368.48 g/mol
LogP0.65
Rot. Bonds

About benzene;tin(2+);chloride;isothiocyanate

benzene;tin(2+);chloride;isothiocyanate (PubChem CID 171375433) has the molecular formula C13H12ClNSSn and a molecular weight of 368.48 g/mol. Its IUPAC name is benzene;tin(2+);chloride;isothiocyanate.

Molecular Properties

Compound Namebenzene;tin(2+);chloride;isothiocyanate
PubChem CID171375433
Molecular FormulaC13H12ClNSSn
Molecular Weight368.48 g/mol
Exact Mass368.94
IUPAC Namebenzene;tin(2+);chloride;isothiocyanate
SMILES[Cl-].[N-]=C=S.[Sn+2].c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.CNS.ClH.Sn/c2*1-2-4-6-5-3-1;2-1-3;;/h2*1-6H;;1H;/q;;-1;;+2/p-1
InChIKeyVIXRICXNHWPHGI-UHFFFAOYSA-M
XLogP0.65
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene;tin(2+);chloride;isothiocyanate?
The IUPAC name of benzene;tin(2+);chloride;isothiocyanate (CID 171375433) is benzene;tin(2+);chloride;isothiocyanate.
What is the SMILES notation for benzene;tin(2+);chloride;isothiocyanate?
The canonical SMILES for benzene;tin(2+);chloride;isothiocyanate is [Cl-].[N-]=C=S.[Sn+2].c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;tin(2+);chloride;isothiocyanate?
The InChIKey is VIXRICXNHWPHGI-UHFFFAOYSA-M. The full InChI is InChI=1S/2C6H6.CNS.ClH.Sn/c2*1-2-4-6-5-3-1;2-1-3;;/h2*1-6H;;1H;/q;;-1;;+2/p-1.
What are the key properties of benzene;tin(2+);chloride;isothiocyanate?
benzene;tin(2+);chloride;isothiocyanate has a molecular weight of 368.48 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tin(2+);chloride;isothiocyanate is sourced from PubChem (CID 171375433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).