guanidine;thiophene;hydrochloride

C5H10ClN3S — CID 172756234

IUPACguanidine;thiophene;hydrochloride
SMILESCl.[H]N=C(N)N.c1ccsc1
InChIInChI=1S/C4H4S.CH5N3.ClH/c1-2-4-5-3-1;2-1(3)4;/h1-4H;(H5,2,3,4);1H
InChIKeyLBENWJMSAGYRGF-UHFFFAOYSA-N
MW179.68 g/mol
LogP1.01
Rot. Bonds

About guanidine;thiophene;hydrochloride

guanidine;thiophene;hydrochloride (PubChem CID 172756234) has the molecular formula C5H10ClN3S and a molecular weight of 179.68 g/mol. Its IUPAC name is guanidine;thiophene;hydrochloride.

Molecular Properties

Compound Nameguanidine;thiophene;hydrochloride
PubChem CID172756234
Molecular FormulaC5H10ClN3S
Molecular Weight179.68 g/mol
Exact Mass179.03
IUPAC Nameguanidine;thiophene;hydrochloride
SMILESCl.[H]N=C(N)N.c1ccsc1
InChIInChI=1S/C4H4S.CH5N3.ClH/c1-2-4-5-3-1;2-1(3)4;/h1-4H;(H5,2,3,4);1H
InChIKeyLBENWJMSAGYRGF-UHFFFAOYSA-N
XLogP1.01
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.68
LogP ≤ 51.01
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;hydrochloride?
The IUPAC name of guanidine;thiophene;hydrochloride (CID 172756234) is guanidine;thiophene;hydrochloride.
What is the SMILES notation for guanidine;thiophene;hydrochloride?
The canonical SMILES for guanidine;thiophene;hydrochloride is Cl.[H]N=C(N)N.c1ccsc1.
What is the InChIKey of guanidine;thiophene;hydrochloride?
The InChIKey is LBENWJMSAGYRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.CH5N3.ClH/c1-2-4-5-3-1;2-1(3)4;/h1-4H;(H5,2,3,4);1H.
What are the key properties of guanidine;thiophene;hydrochloride?
guanidine;thiophene;hydrochloride has a molecular weight of 179.68 g/mol, XLogP of 1.01, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;thiophene;hydrochloride is sourced from PubChem (CID 172756234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).