1-amino-3-ethyl-1-methylthiourea;hydrochloride

C4H12ClN3S — CID 87435886

IUPAC1-amino-3-ethyl-1-methylthiourea;hydrochloride
SMILESCCNC(=S)N(C)N.Cl
InChIInChI=1S/C4H11N3S.ClH/c1-3-6-4(8)7(2)5;/h3,5H2,1-2H3,(H,6,8);1H
InChIKeyPVGCLFIJFVCFEK-UHFFFAOYSA-N
MW169.68 g/mol
LogP0.11
Rot. Bonds1

About 1-amino-3-ethyl-1-methylthiourea;hydrochloride

1-amino-3-ethyl-1-methylthiourea;hydrochloride (PubChem CID 87435886) has the molecular formula C4H12ClN3S and a molecular weight of 169.68 g/mol. Its IUPAC name is 1-amino-3-ethyl-1-methylthiourea;hydrochloride.

Molecular Properties

Compound Name1-amino-3-ethyl-1-methylthiourea;hydrochloride
PubChem CID87435886
Molecular FormulaC4H12ClN3S
Molecular Weight169.68 g/mol
Exact Mass169.04
IUPAC Name1-amino-3-ethyl-1-methylthiourea;hydrochloride
SMILESCCNC(=S)N(C)N.Cl
InChIInChI=1S/C4H11N3S.ClH/c1-3-6-4(8)7(2)5;/h3,5H2,1-2H3,(H,6,8);1H
InChIKeyPVGCLFIJFVCFEK-UHFFFAOYSA-N
XLogP0.11
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.68
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-1-methylthiourea;hydrochloride?
The IUPAC name of 1-amino-3-ethyl-1-methylthiourea;hydrochloride (CID 87435886) is 1-amino-3-ethyl-1-methylthiourea;hydrochloride.
What is the SMILES notation for 1-amino-3-ethyl-1-methylthiourea;hydrochloride?
The canonical SMILES for 1-amino-3-ethyl-1-methylthiourea;hydrochloride is CCNC(=S)N(C)N.Cl.
What is the InChIKey of 1-amino-3-ethyl-1-methylthiourea;hydrochloride?
The InChIKey is PVGCLFIJFVCFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S.ClH/c1-3-6-4(8)7(2)5;/h3,5H2,1-2H3,(H,6,8);1H.
What are the key properties of 1-amino-3-ethyl-1-methylthiourea;hydrochloride?
1-amino-3-ethyl-1-methylthiourea;hydrochloride has a molecular weight of 169.68 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-1-methylthiourea;hydrochloride is sourced from PubChem (CID 87435886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).