isothiocyanato(nitro)silane

CH2N2O2SSi — CID 151160800

IUPACisothiocyanato(nitro)silane
SMILESO=[N+]([O-])[SiH2]N=C=S
InChIInChI=1S/CH2N2O2SSi/c4-3(5)7-2-1-6/h7H2
InChIKeyNAFKATGXNZPPOC-UHFFFAOYSA-N
MW134.19 g/mol
LogP-0.64
Rot. Bonds2

About isothiocyanato(nitro)silane

isothiocyanato(nitro)silane (PubChem CID 151160800) has the molecular formula CH2N2O2SSi and a molecular weight of 134.19 g/mol. Its IUPAC name is isothiocyanato(nitro)silane.

Molecular Properties

Compound Nameisothiocyanato(nitro)silane
PubChem CID151160800
Molecular FormulaCH2N2O2SSi
Molecular Weight134.19 g/mol
Exact Mass133.96
IUPAC Nameisothiocyanato(nitro)silane
SMILESO=[N+]([O-])[SiH2]N=C=S
InChIInChI=1S/CH2N2O2SSi/c4-3(5)7-2-1-6/h7H2
InChIKeyNAFKATGXNZPPOC-UHFFFAOYSA-N
XLogP-0.64
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

nitro N-(sulfanylidenemethylidene)carbamate
CID 149152004
dysprosium(3+);trinitrate;pentahydrate
CID 91886635
disodium;N-oxonitramide
CID 10129945
diazonioimino(sulfanylidene)methane
CID 148549226
nitrate nitrite
CID 22182872
potassium;dioxouranium(2+);trinitrate
CID 22763673
palladium nitrate
CID 57435577
beryllium dinitrate
CID 26126
tetrasilver;tetranitrate
CID 172745321
gold dinitrate
CID 161234525
bis(osmium(4+));octanitrate
CID 158143113
samarium trinitrate
CID 21321193

Frequently Asked Questions

What is the IUPAC name of isothiocyanato(nitro)silane?
The IUPAC name of isothiocyanato(nitro)silane (CID 151160800) is isothiocyanato(nitro)silane.
What is the SMILES notation for isothiocyanato(nitro)silane?
The canonical SMILES for isothiocyanato(nitro)silane is O=[N+]([O-])[SiH2]N=C=S.
What is the InChIKey of isothiocyanato(nitro)silane?
The InChIKey is NAFKATGXNZPPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2O2SSi/c4-3(5)7-2-1-6/h7H2.
What are the key properties of isothiocyanato(nitro)silane?
isothiocyanato(nitro)silane has a molecular weight of 134.19 g/mol, XLogP of -0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isothiocyanato(nitro)silane is sourced from PubChem (CID 151160800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).