bis(4-chlorophenyl)-diisothiocyanatostannane

C14H8Cl2N2S2Sn — CID 71332499

IUPACbis(4-chlorophenyl)-diisothiocyanatostannane
SMILESS=C=N[Sn](N=C=S)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/2C6H4Cl.2CNS.Sn/c2*7-6-4-2-1-3-5-6;2*2-1-3;/h2*2-5H;;;/q;;2*-1;+2
InChIKeyAUAASGRFNYLIEA-UHFFFAOYSA-N
MW457.98 g/mol
LogP3.76
Rot. Bonds4

About bis(4-chlorophenyl)-diisothiocyanatostannane

bis(4-chlorophenyl)-diisothiocyanatostannane (PubChem CID 71332499) has the molecular formula C14H8Cl2N2S2Sn and a molecular weight of 457.98 g/mol. Its IUPAC name is bis(4-chlorophenyl)-diisothiocyanatostannane.

Molecular Properties

Compound Namebis(4-chlorophenyl)-diisothiocyanatostannane
PubChem CID71332499
Molecular FormulaC14H8Cl2N2S2Sn
Molecular Weight457.98 g/mol
Exact Mass457.85
IUPAC Namebis(4-chlorophenyl)-diisothiocyanatostannane
SMILESS=C=N[Sn](N=C=S)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/2C6H4Cl.2CNS.Sn/c2*7-6-4-2-1-3-5-6;2*2-1-3;/h2*2-5H;;;/q;;2*-1;+2
InChIKeyAUAASGRFNYLIEA-UHFFFAOYSA-N
XLogP3.76
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(4-chlorophenyl)stannane
CID 4307055
azane;1,4-dichlorobenzene
CID 69330361
1-chloro-4-(1-chloro-2-isothiocyanatoethyl)benzene
CID 10513723
5-[4-(4-chlorophenyl)phenyl]-1,3-difluoro-2-isothiocyanatobenzene
CID 18521125
tris(4-chlorophenyl)-tris(4-chlorophenyl)stannyloxystannane
CID 16683417
dichloro(diisothiocyanato)stannane
CID 16684794
chlorobenzene;isothiocyanatoethane
CID 175322186
N'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine
CID 87327980
1,4-dichlorobenzene;formonitrile
CID 174444870
1,4-dichlorobenzene;trichloroalumane
CID 174756083
1-chloro-4-methylbenzene;zinc
CID 174694335
3-chloro-1,2-difluoro-4-isothiocyanatobenzene
CID 19890696

Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl)-diisothiocyanatostannane?
The IUPAC name of bis(4-chlorophenyl)-diisothiocyanatostannane (CID 71332499) is bis(4-chlorophenyl)-diisothiocyanatostannane.
What is the SMILES notation for bis(4-chlorophenyl)-diisothiocyanatostannane?
The canonical SMILES for bis(4-chlorophenyl)-diisothiocyanatostannane is S=C=N[Sn](N=C=S)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of bis(4-chlorophenyl)-diisothiocyanatostannane?
The InChIKey is AUAASGRFNYLIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4Cl.2CNS.Sn/c2*7-6-4-2-1-3-5-6;2*2-1-3;/h2*2-5H;;;/q;;2*-1;+2.
What are the key properties of bis(4-chlorophenyl)-diisothiocyanatostannane?
bis(4-chlorophenyl)-diisothiocyanatostannane has a molecular weight of 457.98 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl)-diisothiocyanatostannane is sourced from PubChem (CID 71332499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).