methanol;thiocyanic acid;dihydrochloride

C2H7Cl2NOS — CID 172721148

IUPACmethanol;thiocyanic acid;dihydrochloride
SMILESCO.Cl.Cl.N#CS
InChIInChI=1S/CHNS.CH4O.2ClH/c2-1-3;1-2;;/h3H;2H,1H3;2*1H
InChIKeyGNJVSBGBNMLABZ-UHFFFAOYSA-N
MW164.06 g/mol
LogP0.85
Rot. Bonds

About methanol;thiocyanic acid;dihydrochloride

methanol;thiocyanic acid;dihydrochloride (PubChem CID 172721148) has the molecular formula C2H7Cl2NOS and a molecular weight of 164.06 g/mol. Its IUPAC name is methanol;thiocyanic acid;dihydrochloride.

Molecular Properties

Compound Namemethanol;thiocyanic acid;dihydrochloride
PubChem CID172721148
Molecular FormulaC2H7Cl2NOS
Molecular Weight164.06 g/mol
Exact Mass162.96
IUPAC Namemethanol;thiocyanic acid;dihydrochloride
SMILESCO.Cl.Cl.N#CS
InChIInChI=1S/CHNS.CH4O.2ClH/c2-1-3;1-2;;/h3H;2H,1H3;2*1H
InChIKeyGNJVSBGBNMLABZ-UHFFFAOYSA-N
XLogP0.85
TPSA44.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.06
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanol;thiocyanic acid;dihydrochloride?
The IUPAC name of methanol;thiocyanic acid;dihydrochloride (CID 172721148) is methanol;thiocyanic acid;dihydrochloride.
What is the SMILES notation for methanol;thiocyanic acid;dihydrochloride?
The canonical SMILES for methanol;thiocyanic acid;dihydrochloride is CO.Cl.Cl.N#CS.
What is the InChIKey of methanol;thiocyanic acid;dihydrochloride?
The InChIKey is GNJVSBGBNMLABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.CH4O.2ClH/c2-1-3;1-2;;/h3H;2H,1H3;2*1H.
What are the key properties of methanol;thiocyanic acid;dihydrochloride?
methanol;thiocyanic acid;dihydrochloride has a molecular weight of 164.06 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;thiocyanic acid;dihydrochloride is sourced from PubChem (CID 172721148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).