chloro sulfite;methane;methanesulfonohydrazide;methanesulfonyl chloride;sulfanylidenephosphane

C3H16Cl2N2O7P3S6- — CID 161031967

IUPACchloro sulfite;methane;methanesulfonohydrazide;methanesulfonyl chloride;sulfanylidenephosphane
SMILESC.CS(=O)(=O)Cl.CS(=O)(=O)NN.O=S([O-])OCl.P=S.P=S.P=S
InChIInChI=1S/CH3ClO2S.CH6N2O2S.CH4.ClHO3S.3HPS/c1-5(2,3)4;1-6(4,5)3-2;;1-4-5(2)3;3*1-2/h1H3;3H,2H2,1H3;1H4;(H,2,3);3*1H/p-1
InChIKeyCHMSQTDHEXUKKW-UHFFFAOYSA-M
MW548.40 g/mol
LogP0.95
Rot. Bonds2

About chloro sulfite;methane;methanesulfonohydrazide;methanesulfonyl chloride;sulfanylidenephosphane

chloro sulfite;methane;methanesulfonohydrazide;methanesulfonyl chloride;sulfanylidenephosphane (PubChem CID 161031967) has the molecular formula C3H16Cl2N2O7P3S6- and a molecular weight of 548.40 g/mol. Its IUPAC name is chloro sulfite;methane;methanesulfonohydrazide;methanesulfonyl chloride;sulfanylidenephosphane.

Molecular Properties

Compound Namechloro sulfite;methane;methanesulfonohydrazide;methanesulfonyl chloride;sulfanylidenephosphane
PubChem CID161031967
Molecular FormulaC3H16Cl2N2O7P3S6-
Molecular Weight548.40 g/mol
Exact Mass546.79
IUPAC Namechloro sulfite;methane;methanesulfonohydrazide;methanesulfonyl chloride;sulfanylidenephosphane
SMILESC.CS(=O)(=O)Cl.CS(=O)(=O)NN.O=S([O-])OCl.P=S.P=S.P=S
InChIInChI=1S/CH3ClO2S.CH6N2O2S.CH4.ClHO3S.3HPS/c1-5(2,3)4;1-6(4,5)3-2;;1-4-5(2)3;3*1-2/h1H3;3H,2H2,1H3;1H4;(H,2,3);3*1H/p-1
InChIKeyCHMSQTDHEXUKKW-UHFFFAOYSA-M
XLogP0.95
TPSA155.69 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro sulfite;methane;methanesulfonohydrazide;methanesulfonyl chloride;sulfanylidenephosphane?
The IUPAC name of chloro sulfite;methane;methanesulfonohydrazide;methanesulfonyl chloride;sulfanylidenephosphane (CID 161031967) is chloro sulfite;methane;methanesulfonohydrazide;methanesulfonyl chloride;sulfanylidenephosphane.
What is the SMILES notation for chloro sulfite;methane;methanesulfonohydrazide;methanesulfonyl chloride;sulfanylidenephosphane?
The canonical SMILES for chloro sulfite;methane;methanesulfonohydrazide;methanesulfonyl chloride;sulfanylidenephosphane is C.CS(=O)(=O)Cl.CS(=O)(=O)NN.O=S([O-])OCl.P=S.P=S.P=S.
What is the InChIKey of chloro sulfite;methane;methanesulfonohydrazide;methanesulfonyl chloride;sulfanylidenephosphane?
The InChIKey is CHMSQTDHEXUKKW-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3ClO2S.CH6N2O2S.CH4.ClHO3S.3HPS/c1-5(2,3)4;1-6(4,5)3-2;;1-4-5(2)3;3*1-2/h1H3;3H,2H2,1H3;1H4;(H,2,3);3*1H/p-1.
What are the key properties of chloro sulfite;methane;methanesulfonohydrazide;methanesulfonyl chloride;sulfanylidenephosphane?
chloro sulfite;methane;methanesulfonohydrazide;methanesulfonyl chloride;sulfanylidenephosphane has a molecular weight of 548.40 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for chloro sulfite;methane;methanesulfonohydrazide;methanesulfonyl chloride;sulfanylidenephosphane is sourced from PubChem (CID 161031967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).