isocyanatosulfinyl hypochlorite

CClNO3S — CID 20694166

IUPACisocyanatosulfinyl hypochlorite
SMILESO=C=NS(=O)OCl
InChIInChI=1S/CClNO3S/c2-6-7(5)3-1-4
InChIKeyGIYCSYQEOPFGCI-UHFFFAOYSA-N
MW141.53 g/mol
LogP0.07
Rot. Bonds2

About isocyanatosulfinyl hypochlorite

isocyanatosulfinyl hypochlorite (PubChem CID 20694166) has the molecular formula CClNO3S and a molecular weight of 141.53 g/mol. Its IUPAC name is isocyanatosulfinyl hypochlorite.

Molecular Properties

Compound Nameisocyanatosulfinyl hypochlorite
PubChem CID20694166
Molecular FormulaCClNO3S
Molecular Weight141.53 g/mol
Exact Mass140.93
IUPAC Nameisocyanatosulfinyl hypochlorite
SMILESO=C=NS(=O)OCl
InChIInChI=1S/CClNO3S/c2-6-7(5)3-1-4
InChIKeyGIYCSYQEOPFGCI-UHFFFAOYSA-N
XLogP0.07
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.53
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxo(sulfinatoimino)methane
CID 21262081
chloro methanesulfinate;isocyanato methanesulfinate;methyl carbonochloridate;methylimino(oxo)methane
CID 91435639
trichloro(isocyanatooxy)methane
CID 11116588
2-chloro-2-isocyanato-3,3-dimethylbutane
CID 134871631
(3S)-2-chloro-3-isocyanatobutane
CID 163897337
1-chlorosulfonyloxy-1,1-diisocyanatopentane
CID 88710573
oxo(polanylimino)methane
CID 173033131
CID 59919457
CID 59919457
1-fluoro-2,2-bis(fluoromethyl)-3-isocyanatopropane
CID 13422498
carbon dioxide;methane;ruthenium
CID 158599748
dichloromethane;1-isocyanato-2-(trifluoromethoxy)benzene
CID 158893316
benzene;triisocyanatooxy(sulfanylidene)-lambda5-phosphane
CID 18410041

Frequently Asked Questions

What is the IUPAC name of isocyanatosulfinyl hypochlorite?
The IUPAC name of isocyanatosulfinyl hypochlorite (CID 20694166) is isocyanatosulfinyl hypochlorite.
What is the SMILES notation for isocyanatosulfinyl hypochlorite?
The canonical SMILES for isocyanatosulfinyl hypochlorite is O=C=NS(=O)OCl.
What is the InChIKey of isocyanatosulfinyl hypochlorite?
The InChIKey is GIYCSYQEOPFGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/CClNO3S/c2-6-7(5)3-1-4.
What are the key properties of isocyanatosulfinyl hypochlorite?
isocyanatosulfinyl hypochlorite has a molecular weight of 141.53 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanatosulfinyl hypochlorite is sourced from PubChem (CID 20694166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).