2-(2-sulfanylethyl)guanidine;hydrochloride

C3H10ClN3S — CID 16760553

IUPAC2-(2-sulfanylethyl)guanidine;hydrochloride
SMILESCl.NC(N)=NCCS
InChIInChI=1S/C3H9N3S.ClH/c4-3(5)6-1-2-7;/h7H,1-2H2,(H4,4,5,6);1H
InChIKeyQDGRANVCLYGLDL-UHFFFAOYSA-N
MW155.65 g/mol
LogP-0.39
Rot. Bonds2

About 2-(2-sulfanylethyl)guanidine;hydrochloride

2-(2-sulfanylethyl)guanidine;hydrochloride (PubChem CID 16760553) has the molecular formula C3H10ClN3S and a molecular weight of 155.65 g/mol. Its IUPAC name is 2-(2-sulfanylethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(2-sulfanylethyl)guanidine;hydrochloride
PubChem CID16760553
Molecular FormulaC3H10ClN3S
Molecular Weight155.65 g/mol
Exact Mass155.03
IUPAC Name2-(2-sulfanylethyl)guanidine;hydrochloride
SMILESCl.NC(N)=NCCS
InChIInChI=1S/C3H9N3S.ClH/c4-3(5)6-1-2-7;/h7H,1-2H2,(H4,4,5,6);1H
InChIKeyQDGRANVCLYGLDL-UHFFFAOYSA-N
XLogP-0.39
TPSA64.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.65
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-sulfanylethyl)guanidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylethyl)guanidine;hydrochloride?
The IUPAC name of 2-(2-sulfanylethyl)guanidine;hydrochloride (CID 16760553) is 2-(2-sulfanylethyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(2-sulfanylethyl)guanidine;hydrochloride?
The canonical SMILES for 2-(2-sulfanylethyl)guanidine;hydrochloride is Cl.NC(N)=NCCS.
What is the InChIKey of 2-(2-sulfanylethyl)guanidine;hydrochloride?
The InChIKey is QDGRANVCLYGLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3S.ClH/c4-3(5)6-1-2-7;/h7H,1-2H2,(H4,4,5,6);1H.
What are the key properties of 2-(2-sulfanylethyl)guanidine;hydrochloride?
2-(2-sulfanylethyl)guanidine;hydrochloride has a molecular weight of 155.65 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylethyl)guanidine;hydrochloride is sourced from PubChem (CID 16760553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).