guanidine;thiocyanic acid;hydrochloride

C2H7ClN4S — CID 173213318

IUPACguanidine;thiocyanic acid;hydrochloride
SMILESCl.N#CS.[H]N=C(N)N
InChIInChI=1S/CH5N3.CHNS.ClH/c2-1(3)4;2-1-3;/h(H5,2,3,4);3H;1H
InChIKeyZQFFRVWXQCVSNE-UHFFFAOYSA-N
MW154.63 g/mol
LogP-0.34
Rot. Bonds

About guanidine;thiocyanic acid;hydrochloride

guanidine;thiocyanic acid;hydrochloride (PubChem CID 173213318) has the molecular formula C2H7ClN4S and a molecular weight of 154.63 g/mol. Its IUPAC name is guanidine;thiocyanic acid;hydrochloride.

Molecular Properties

Compound Nameguanidine;thiocyanic acid;hydrochloride
PubChem CID173213318
Molecular FormulaC2H7ClN4S
Molecular Weight154.63 g/mol
Exact Mass154.01
IUPAC Nameguanidine;thiocyanic acid;hydrochloride
SMILESCl.N#CS.[H]N=C(N)N
InChIInChI=1S/CH5N3.CHNS.ClH/c2-1(3)4;2-1-3;/h(H5,2,3,4);3H;1H
InChIKeyZQFFRVWXQCVSNE-UHFFFAOYSA-N
XLogP-0.34
TPSA99.68 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.63
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of guanidine;thiocyanic acid;hydrochloride?
The IUPAC name of guanidine;thiocyanic acid;hydrochloride (CID 173213318) is guanidine;thiocyanic acid;hydrochloride.
What is the SMILES notation for guanidine;thiocyanic acid;hydrochloride?
The canonical SMILES for guanidine;thiocyanic acid;hydrochloride is Cl.N#CS.[H]N=C(N)N.
What is the InChIKey of guanidine;thiocyanic acid;hydrochloride?
The InChIKey is ZQFFRVWXQCVSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.CHNS.ClH/c2-1(3)4;2-1-3;/h(H5,2,3,4);3H;1H.
What are the key properties of guanidine;thiocyanic acid;hydrochloride?
guanidine;thiocyanic acid;hydrochloride has a molecular weight of 154.63 g/mol, XLogP of -0.34, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;thiocyanic acid;hydrochloride is sourced from PubChem (CID 173213318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).