guanidine;thiophene

C5H9N3S — CID 161316469

IUPACguanidine;thiophene
SMILES[H]N=C(N)N.c1ccsc1
InChIInChI=1S/C4H4S.CH5N3/c1-2-4-5-3-1;2-1(3)4/h1-4H;(H5,2,3,4)
InChIKeyVJOIKWIHYSPCHW-UHFFFAOYSA-N
MW143.22 g/mol
LogP0.59
Rot. Bonds

About guanidine;thiophene

guanidine;thiophene (PubChem CID 161316469) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is guanidine;thiophene.

Molecular Properties

Compound Nameguanidine;thiophene
PubChem CID161316469
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Nameguanidine;thiophene
SMILES[H]N=C(N)N.c1ccsc1
InChIInChI=1S/C4H4S.CH5N3/c1-2-4-5-3-1;2-1(3)4/h1-4H;(H5,2,3,4)
InChIKeyVJOIKWIHYSPCHW-UHFFFAOYSA-N
XLogP0.59
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 50.59
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'}

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Frequently Asked Questions

What is the IUPAC name of guanidine;thiophene?
The IUPAC name of guanidine;thiophene (CID 161316469) is guanidine;thiophene.
What is the SMILES notation for guanidine;thiophene?
The canonical SMILES for guanidine;thiophene is [H]N=C(N)N.c1ccsc1.
What is the InChIKey of guanidine;thiophene?
The InChIKey is VJOIKWIHYSPCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.CH5N3/c1-2-4-5-3-1;2-1(3)4/h1-4H;(H5,2,3,4).
What are the key properties of guanidine;thiophene?
guanidine;thiophene has a molecular weight of 143.22 g/mol, XLogP of 0.59, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;thiophene is sourced from PubChem (CID 161316469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).