2-methyl-1-(2-sulfanylethyl)guanidine

C4H11N3S — CID 10034679

IUPAC2-methyl-1-(2-sulfanylethyl)guanidine
SMILESC/N=C(\N)NCCS
InChIInChI=1S/C4H11N3S/c1-6-4(5)7-2-3-8/h8H,2-3H2,1H3,(H3,5,6,7)
InChIKeyOWGYZXRIBLNBAU-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.55
Rot. Bonds2

About 2-methyl-1-(2-sulfanylethyl)guanidine

2-methyl-1-(2-sulfanylethyl)guanidine (PubChem CID 10034679) has the molecular formula C4H11N3S and a molecular weight of 133.22 g/mol. Its IUPAC name is 2-methyl-1-(2-sulfanylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-sulfanylethyl)guanidine
PubChem CID10034679
Molecular FormulaC4H11N3S
Molecular Weight133.22 g/mol
Exact Mass133.07
IUPAC Name2-methyl-1-(2-sulfanylethyl)guanidine
SMILESC/N=C(\N)NCCS
InChIInChI=1S/C4H11N3S/c1-6-4(5)7-2-3-8/h8H,2-3H2,1H3,(H3,5,6,7)
InChIKeyOWGYZXRIBLNBAU-UHFFFAOYSA-N
XLogP-0.55
TPSA50.41 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.55
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-sulfanylethyl)guanidine?
The IUPAC name of 2-methyl-1-(2-sulfanylethyl)guanidine (CID 10034679) is 2-methyl-1-(2-sulfanylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-sulfanylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-sulfanylethyl)guanidine is C/N=C(\N)NCCS.
What is the InChIKey of 2-methyl-1-(2-sulfanylethyl)guanidine?
The InChIKey is OWGYZXRIBLNBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S/c1-6-4(5)7-2-3-8/h8H,2-3H2,1H3,(H3,5,6,7).
What are the key properties of 2-methyl-1-(2-sulfanylethyl)guanidine?
2-methyl-1-(2-sulfanylethyl)guanidine has a molecular weight of 133.22 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-sulfanylethyl)guanidine is sourced from PubChem (CID 10034679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).