2-(2-sulfanylethyl)guanidine

C3H9N3S — CID 4070

IUPAC2-(2-sulfanylethyl)guanidine
SMILESNC(N)=NCCS
InChIInChI=1S/C3H9N3S/c4-3(5)6-1-2-7/h7H,1-2H2,(H4,4,5,6)
InChIKeyGAPFINWZKMCSBG-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.81
Rot. Bonds2

About 2-(2-sulfanylethyl)guanidine

2-(2-sulfanylethyl)guanidine (PubChem CID 4070) has the molecular formula C3H9N3S and a molecular weight of 119.19 g/mol. Its IUPAC name is 2-(2-sulfanylethyl)guanidine.

Molecular Properties

Compound Name2-(2-sulfanylethyl)guanidine
PubChem CID4070
Molecular FormulaC3H9N3S
Molecular Weight119.19 g/mol
Exact Mass119.05
IUPAC Name2-(2-sulfanylethyl)guanidine
SMILESNC(N)=NCCS
InChIInChI=1S/C3H9N3S/c4-3(5)6-1-2-7/h7H,1-2H2,(H4,4,5,6)
InChIKeyGAPFINWZKMCSBG-UHFFFAOYSA-N
XLogP-0.81
TPSA64.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.81
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'}

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Related Compounds

2-Mercaptoethylguanidine monohydrochloride
CID 16760553
Guanidine, (3-mercaptopropyl)-
CID 38671
Guanidinoethanethiol
CID 19608817
4-Mercaptobutylguanidine hydrobromide
CID 3028495
3-Mercaptopropylguanidine hydrochloride
CID 3028498
1-(2-Mercaptoethyl)guanidine hydrobromide
CID 53426976
Guanidine, (3-mercaptopropyl)-, monohydrobromide
CID 24191686
2-(4-Sulfanylbutyl)guanidine
CID 3028496
N'-(2-sulfanylethyl)methanimidamide
CID 12801782
2-(1-Sulfanylpropyl)guanidine
CID 19608813
N''-(2-Sulfanylpropyl)guanidine
CID 20070642
1-Imino-2-(2-sulfanylethyl)guanidine
CID 20463576

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylethyl)guanidine?
The IUPAC name of 2-(2-sulfanylethyl)guanidine (CID 4070) is 2-(2-sulfanylethyl)guanidine.
What is the SMILES notation for 2-(2-sulfanylethyl)guanidine?
The canonical SMILES for 2-(2-sulfanylethyl)guanidine is NC(N)=NCCS.
What is the InChIKey of 2-(2-sulfanylethyl)guanidine?
The InChIKey is GAPFINWZKMCSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3S/c4-3(5)6-1-2-7/h7H,1-2H2,(H4,4,5,6).
What are the key properties of 2-(2-sulfanylethyl)guanidine?
2-(2-sulfanylethyl)guanidine has a molecular weight of 119.19 g/mol, XLogP of -0.81, 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 is sourced from PubChem (CID 4070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).