methane;thiocyanic acid

C8H20N4S4 — CID 175305426

IUPACmethane;thiocyanic acid
SMILESC.C.C.C.N#CS.N#CS.N#CS.N#CS
InChIInChI=1S/4CHNS.4CH4/c4*2-1-3;;;;/h4*3H;4*1H4
InChIKeyVELQIZQYWSBBMG-UHFFFAOYSA-N
MW300.54 g/mol
LogP4.13
Rot. Bonds

About methane;thiocyanic acid

methane;thiocyanic acid (PubChem CID 175305426) has the molecular formula C8H20N4S4 and a molecular weight of 300.54 g/mol. Its IUPAC name is methane;thiocyanic acid.

Molecular Properties

Compound Namemethane;thiocyanic acid
PubChem CID175305426
Molecular FormulaC8H20N4S4
Molecular Weight300.54 g/mol
Exact Mass300.06
IUPAC Namemethane;thiocyanic acid
SMILESC.C.C.C.N#CS.N#CS.N#CS.N#CS
InChIInChI=1S/4CHNS.4CH4/c4*2-1-3;;;;/h4*3H;4*1H4
InChIKeyVELQIZQYWSBBMG-UHFFFAOYSA-N
XLogP4.13
TPSA95.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 54.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

octanonacontasodium;thiocyanic acid
CID 173362917
molybdenum;thiocyanic acid
CID 87140059
calcium;hydride;thiocyanic acid
CID 173280963
azane;gold;thiocyanic acid
CID 87960821
thiocyanic acid;hydrochloride;hydroiodide
CID 172734142
azane;thiocyanic acid;zinc
CID 88760762
trisodium;hydride;thiocyanic acid
CID 174868626
azane;hydron;thiocyanic acid
CID 174791541
azane;cobalt;thiocyanic acid
CID 173339149
lithium;hydride;hydron;thiocyanic acid
CID 174838780
methanol;thiocyanic acid;dihydrochloride
CID 172721148
guanidine;thiocyanic acid;hydrochloride
CID 173213318

Frequently Asked Questions

What is the IUPAC name of methane;thiocyanic acid?
The IUPAC name of methane;thiocyanic acid (CID 175305426) is methane;thiocyanic acid.
What is the SMILES notation for methane;thiocyanic acid?
The canonical SMILES for methane;thiocyanic acid is C.C.C.C.N#CS.N#CS.N#CS.N#CS.
What is the InChIKey of methane;thiocyanic acid?
The InChIKey is VELQIZQYWSBBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/4CHNS.4CH4/c4*2-1-3;;;;/h4*3H;4*1H4.
What are the key properties of methane;thiocyanic acid?
methane;thiocyanic acid has a molecular weight of 300.54 g/mol, XLogP of 4.13, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;thiocyanic acid is sourced from PubChem (CID 175305426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).