2-methyl-1-sulfanylguanidine

C2H7N3S — CID 142184997

IUPAC2-methyl-1-sulfanylguanidine
SMILESC/N=C(\N)NS
InChIInChI=1S/C2H7N3S/c1-4-2(3)5-6/h6H,1H3,(H3,3,4,5)
InChIKeyVMPMLFKVKOHHIO-UHFFFAOYSA-N
MW105.17 g/mol
LogP-0.63
Rot. Bonds

About 2-methyl-1-sulfanylguanidine

2-methyl-1-sulfanylguanidine (PubChem CID 142184997) has the molecular formula C2H7N3S and a molecular weight of 105.17 g/mol. Its IUPAC name is 2-methyl-1-sulfanylguanidine.

Molecular Properties

Compound Name2-methyl-1-sulfanylguanidine
PubChem CID142184997
Molecular FormulaC2H7N3S
Molecular Weight105.17 g/mol
Exact Mass105.04
IUPAC Name2-methyl-1-sulfanylguanidine
SMILESC/N=C(\N)NS
InChIInChI=1S/C2H7N3S/c1-4-2(3)5-6/h6H,1H3,(H3,3,4,5)
InChIKeyVMPMLFKVKOHHIO-UHFFFAOYSA-N
XLogP-0.63
TPSA50.41 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.17
LogP ≤ 5-0.63
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-sulfanylguanidine?
The IUPAC name of 2-methyl-1-sulfanylguanidine (CID 142184997) is 2-methyl-1-sulfanylguanidine.
What is the SMILES notation for 2-methyl-1-sulfanylguanidine?
The canonical SMILES for 2-methyl-1-sulfanylguanidine is C/N=C(\N)NS.
What is the InChIKey of 2-methyl-1-sulfanylguanidine?
The InChIKey is VMPMLFKVKOHHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3S/c1-4-2(3)5-6/h6H,1H3,(H3,3,4,5).
What are the key properties of 2-methyl-1-sulfanylguanidine?
2-methyl-1-sulfanylguanidine has a molecular weight of 105.17 g/mol, XLogP of -0.63, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-sulfanylguanidine is sourced from PubChem (CID 142184997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).