hydroxysilane;sulfo carbamate

CH7NO6SSi — CID 174435108

IUPAChydroxysilane;sulfo carbamate
SMILESNC(=O)OS(=O)(=O)O.O[SiH3]
InChIInChI=1S/CH3NO5S.H4OSi/c2-1(3)7-8(4,5)6;1-2/h(H2,2,3)(H,4,5,6);1H,2H3
InChIKeyBGQDSBZCJMXBET-UHFFFAOYSA-N
MW189.22 g/mol
LogP-2.86
Rot. Bonds1

About hydroxysilane;sulfo carbamate

hydroxysilane;sulfo carbamate (PubChem CID 174435108) has the molecular formula CH7NO6SSi and a molecular weight of 189.22 g/mol. Its IUPAC name is hydroxysilane;sulfo carbamate.

Molecular Properties

Compound Namehydroxysilane;sulfo carbamate
PubChem CID174435108
Molecular FormulaCH7NO6SSi
Molecular Weight189.22 g/mol
Exact Mass188.98
IUPAC Namehydroxysilane;sulfo carbamate
SMILESNC(=O)OS(=O)(=O)O.O[SiH3]
InChIInChI=1S/CH3NO5S.H4OSi/c2-1(3)7-8(4,5)6;1-2/h(H2,2,3)(H,4,5,6);1H,2H3
InChIKeyBGQDSBZCJMXBET-UHFFFAOYSA-N
XLogP-2.86
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-2.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

disulfo carbonate;bis(λ2-plumbane)
CID 173043440
tetralithium;disulfo carbonate;hydride
CID 174843261
carbamoyl difluoromethanesulfonate
CID 150341859
azane;sulfo 2-aminoacetate
CID 173374535
zinc sulfo carbonate
CID 23463769
dicalcium;disulfo carbonate;hydride;zinc
CID 174696696
dicalcium;disulfo carbonate;hydride;manganese
CID 175398142
dicalcium;dipotassium;disulfo 2,3-dihydroxybutanedioate;hydride
CID 175079208
sodium;hydride;sulfo acetate
CID 173308098
tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid
CID 175369181
alumane;sulfuric acid;urea
CID 173346589
hydroxyurea;sulfuric acid
CID 170163620

Frequently Asked Questions

What is the IUPAC name of hydroxysilane;sulfo carbamate?
The IUPAC name of hydroxysilane;sulfo carbamate (CID 174435108) is hydroxysilane;sulfo carbamate.
What is the SMILES notation for hydroxysilane;sulfo carbamate?
The canonical SMILES for hydroxysilane;sulfo carbamate is NC(=O)OS(=O)(=O)O.O[SiH3].
What is the InChIKey of hydroxysilane;sulfo carbamate?
The InChIKey is BGQDSBZCJMXBET-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO5S.H4OSi/c2-1(3)7-8(4,5)6;1-2/h(H2,2,3)(H,4,5,6);1H,2H3.
What are the key properties of hydroxysilane;sulfo carbamate?
hydroxysilane;sulfo carbamate has a molecular weight of 189.22 g/mol, XLogP of -2.86, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxysilane;sulfo carbamate is sourced from PubChem (CID 174435108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).