2-(1-sulfanylbutyl)guanidine

C5H13N3S — CID 57248909

IUPAC2-(1-sulfanylbutyl)guanidine
SMILESCCCC(S)N=C(N)N
InChIInChI=1S/C5H13N3S/c1-2-3-4(9)8-5(6)7/h4,9H,2-3H2,1H3,(H4,6,7,8)
InChIKeyBSUCFHXRWHBVQY-UHFFFAOYSA-N
MW147.25 g/mol
LogP0.32
Rot. Bonds3

About 2-(1-sulfanylbutyl)guanidine

2-(1-sulfanylbutyl)guanidine (PubChem CID 57248909) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is 2-(1-sulfanylbutyl)guanidine.

Molecular Properties

Compound Name2-(1-sulfanylbutyl)guanidine
PubChem CID57248909
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Name2-(1-sulfanylbutyl)guanidine
SMILESCCCC(S)N=C(N)N
InChIInChI=1S/C5H13N3S/c1-2-3-4(9)8-5(6)7/h4,9H,2-3H2,1H3,(H4,6,7,8)
InChIKeyBSUCFHXRWHBVQY-UHFFFAOYSA-N
XLogP0.32
TPSA64.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 50.32
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-sulfanylbutyl)guanidine?
The IUPAC name of 2-(1-sulfanylbutyl)guanidine (CID 57248909) is 2-(1-sulfanylbutyl)guanidine.
What is the SMILES notation for 2-(1-sulfanylbutyl)guanidine?
The canonical SMILES for 2-(1-sulfanylbutyl)guanidine is CCCC(S)N=C(N)N.
What is the InChIKey of 2-(1-sulfanylbutyl)guanidine?
The InChIKey is BSUCFHXRWHBVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-2-3-4(9)8-5(6)7/h4,9H,2-3H2,1H3,(H4,6,7,8).
What are the key properties of 2-(1-sulfanylbutyl)guanidine?
2-(1-sulfanylbutyl)guanidine has a molecular weight of 147.25 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-sulfanylbutyl)guanidine is sourced from PubChem (CID 57248909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).