2-(1-sulfanylpropyl)guanidine

C4H11N3S — CID 19608813

IUPAC2-(1-sulfanylpropyl)guanidine
SMILESCCC(S)N=C(N)N
InChIInChI=1S/C4H11N3S/c1-2-3(8)7-4(5)6/h3,8H,2H2,1H3,(H4,5,6,7)
InChIKeyMGRBFDFUPSZQEG-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.07
Rot. Bonds2

About 2-(1-sulfanylpropyl)guanidine

2-(1-sulfanylpropyl)guanidine (PubChem CID 19608813) has the molecular formula C4H11N3S and a molecular weight of 133.22 g/mol. Its IUPAC name is 2-(1-sulfanylpropyl)guanidine.

Molecular Properties

Compound Name2-(1-sulfanylpropyl)guanidine
PubChem CID19608813
Molecular FormulaC4H11N3S
Molecular Weight133.22 g/mol
Exact Mass133.07
IUPAC Name2-(1-sulfanylpropyl)guanidine
SMILESCCC(S)N=C(N)N
InChIInChI=1S/C4H11N3S/c1-2-3(8)7-4(5)6/h3,8H,2H2,1H3,(H4,5,6,7)
InChIKeyMGRBFDFUPSZQEG-UHFFFAOYSA-N
XLogP-0.07
TPSA64.40 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 ≤ 5-0.07
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-(1-sulfanylpropyl)guanidine?
The IUPAC name of 2-(1-sulfanylpropyl)guanidine (CID 19608813) is 2-(1-sulfanylpropyl)guanidine.
What is the SMILES notation for 2-(1-sulfanylpropyl)guanidine?
The canonical SMILES for 2-(1-sulfanylpropyl)guanidine is CCC(S)N=C(N)N.
What is the InChIKey of 2-(1-sulfanylpropyl)guanidine?
The InChIKey is MGRBFDFUPSZQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S/c1-2-3(8)7-4(5)6/h3,8H,2H2,1H3,(H4,5,6,7).
What are the key properties of 2-(1-sulfanylpropyl)guanidine?
2-(1-sulfanylpropyl)guanidine has a molecular weight of 133.22 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-sulfanylpropyl)guanidine is sourced from PubChem (CID 19608813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).