azane;guanidine;thiophene

C5H12N4S — CID 172790710

IUPACazane;guanidine;thiophene
SMILESN.[H]N=C(N)N.c1ccsc1
InChIInChI=1S/C4H4S.CH5N3.H3N/c1-2-4-5-3-1;2-1(3)4;/h1-4H;(H5,2,3,4);1H3
InChIKeyPNKXWKNOZDBWGK-UHFFFAOYSA-N
MW160.25 g/mol
LogP0.75
Rot. Bonds

About azane;guanidine;thiophene

azane;guanidine;thiophene (PubChem CID 172790710) has the molecular formula C5H12N4S and a molecular weight of 160.25 g/mol. Its IUPAC name is azane;guanidine;thiophene.

Molecular Properties

Compound Nameazane;guanidine;thiophene
PubChem CID172790710
Molecular FormulaC5H12N4S
Molecular Weight160.25 g/mol
Exact Mass160.08
IUPAC Nameazane;guanidine;thiophene
SMILESN.[H]N=C(N)N.c1ccsc1
InChIInChI=1S/C4H4S.CH5N3.H3N/c1-2-4-5-3-1;2-1(3)4;/h1-4H;(H5,2,3,4);1H3
InChIKeyPNKXWKNOZDBWGK-UHFFFAOYSA-N
XLogP0.75
TPSA110.89 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.25
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 azane;guanidine;thiophene?
The IUPAC name of azane;guanidine;thiophene (CID 172790710) is azane;guanidine;thiophene.
What is the SMILES notation for azane;guanidine;thiophene?
The canonical SMILES for azane;guanidine;thiophene is N.[H]N=C(N)N.c1ccsc1.
What is the InChIKey of azane;guanidine;thiophene?
The InChIKey is PNKXWKNOZDBWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.CH5N3.H3N/c1-2-4-5-3-1;2-1(3)4;/h1-4H;(H5,2,3,4);1H3.
What are the key properties of azane;guanidine;thiophene?
azane;guanidine;thiophene has a molecular weight of 160.25 g/mol, XLogP of 0.75, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;guanidine;thiophene is sourced from PubChem (CID 172790710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).