guanidine;3-sulfanylidenepropane-1-sulfonic acid

C4H11N3O3S2 — CID 160783192

IUPACguanidine;3-sulfanylidenepropane-1-sulfonic acid
SMILESO=S(=O)(O)CCC=S.[H]N=C(N)N
InChIInChI=1S/C3H6O3S2.CH5N3/c4-8(5,6)3-1-2-7;2-1(3)4/h2H,1,3H2,(H,4,5,6);(H5,2,3,4)
InChIKeySAVUNXJWFUCFQT-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.90
Rot. Bonds3

About guanidine;3-sulfanylidenepropane-1-sulfonic acid

guanidine;3-sulfanylidenepropane-1-sulfonic acid (PubChem CID 160783192) has the molecular formula C4H11N3O3S2 and a molecular weight of 213.28 g/mol. Its IUPAC name is guanidine;3-sulfanylidenepropane-1-sulfonic acid.

Molecular Properties

Compound Nameguanidine;3-sulfanylidenepropane-1-sulfonic acid
PubChem CID160783192
Molecular FormulaC4H11N3O3S2
Molecular Weight213.28 g/mol
Exact Mass213.02
IUPAC Nameguanidine;3-sulfanylidenepropane-1-sulfonic acid
SMILESO=S(=O)(O)CCC=S.[H]N=C(N)N
InChIInChI=1S/C3H6O3S2.CH5N3/c4-8(5,6)3-1-2-7;2-1(3)4/h2H,1,3H2,(H,4,5,6);(H5,2,3,4)
InChIKeySAVUNXJWFUCFQT-UHFFFAOYSA-N
XLogP-0.90
TPSA130.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze guanidine;3-sulfanylidenepropane-1-sulfonic acid 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 guanidine;3-sulfanylidenepropane-1-sulfonic acid?
The IUPAC name of guanidine;3-sulfanylidenepropane-1-sulfonic acid (CID 160783192) is guanidine;3-sulfanylidenepropane-1-sulfonic acid.
What is the SMILES notation for guanidine;3-sulfanylidenepropane-1-sulfonic acid?
The canonical SMILES for guanidine;3-sulfanylidenepropane-1-sulfonic acid is O=S(=O)(O)CCC=S.[H]N=C(N)N.
What is the InChIKey of guanidine;3-sulfanylidenepropane-1-sulfonic acid?
The InChIKey is SAVUNXJWFUCFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3S2.CH5N3/c4-8(5,6)3-1-2-7;2-1(3)4/h2H,1,3H2,(H,4,5,6);(H5,2,3,4).
What are the key properties of guanidine;3-sulfanylidenepropane-1-sulfonic acid?
guanidine;3-sulfanylidenepropane-1-sulfonic acid has a molecular weight of 213.28 g/mol, XLogP of -0.90, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;3-sulfanylidenepropane-1-sulfonic acid is sourced from PubChem (CID 160783192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).