1-ethyl-1-(methylamino)thiourea;hydrochloride

C4H12ClN3S — CID 87435887

IUPAC1-ethyl-1-(methylamino)thiourea;hydrochloride
SMILESCCN(NC)C(N)=S.Cl
InChIInChI=1S/C4H11N3S.ClH/c1-3-7(6-2)4(5)8;/h6H,3H2,1-2H3,(H2,5,8);1H
InChIKeyRFJRDHBNYGKKAV-UHFFFAOYSA-N
MW169.68 g/mol
LogP0.11
Rot. Bonds2

About 1-ethyl-1-(methylamino)thiourea;hydrochloride

1-ethyl-1-(methylamino)thiourea;hydrochloride (PubChem CID 87435887) has the molecular formula C4H12ClN3S and a molecular weight of 169.68 g/mol. Its IUPAC name is 1-ethyl-1-(methylamino)thiourea;hydrochloride.

Molecular Properties

Compound Name1-ethyl-1-(methylamino)thiourea;hydrochloride
PubChem CID87435887
Molecular FormulaC4H12ClN3S
Molecular Weight169.68 g/mol
Exact Mass169.04
IUPAC Name1-ethyl-1-(methylamino)thiourea;hydrochloride
SMILESCCN(NC)C(N)=S.Cl
InChIInChI=1S/C4H11N3S.ClH/c1-3-7(6-2)4(5)8;/h6H,3H2,1-2H3,(H2,5,8);1H
InChIKeyRFJRDHBNYGKKAV-UHFFFAOYSA-N
XLogP0.11
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-Ethylhydrazine-1-carbothioamide
CID 13741852
N-Ethyl-2,2-dimethylhydrazine-1-carbothioamide
CID 4253634
1-ethyl-N1-methylhydrazine-1,2-dicarbothioamide
CID 91723146
4-Ethyl thiosemicarbazide hydrochloride
CID 12618719
1-Ethyl-3-(methylamino)thiourea
CID 15685569
1-(Ethylamino)-3-methylthiourea
CID 20342793
1-Ethyl-3-(ethylamino)thiourea
CID 20526150
1-Amino-1-propylthiourea
CID 22301223
1-Amino-1,3-diethylthiourea
CID 55286386
1-(Ethylamino)-1-methylthiourea
CID 55290296
[Ethyl(methyl)amino]thiourea
CID 55290298
1-Amino-3-ethyl-1-methylthiourea;hydrochloride
CID 87435886

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(methylamino)thiourea;hydrochloride?
The IUPAC name of 1-ethyl-1-(methylamino)thiourea;hydrochloride (CID 87435887) is 1-ethyl-1-(methylamino)thiourea;hydrochloride.
What is the SMILES notation for 1-ethyl-1-(methylamino)thiourea;hydrochloride?
The canonical SMILES for 1-ethyl-1-(methylamino)thiourea;hydrochloride is CCN(NC)C(N)=S.Cl.
What is the InChIKey of 1-ethyl-1-(methylamino)thiourea;hydrochloride?
The InChIKey is RFJRDHBNYGKKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S.ClH/c1-3-7(6-2)4(5)8;/h6H,3H2,1-2H3,(H2,5,8);1H.
What are the key properties of 1-ethyl-1-(methylamino)thiourea;hydrochloride?
1-ethyl-1-(methylamino)thiourea;hydrochloride has a molecular weight of 169.68 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(methylamino)thiourea;hydrochloride is sourced from PubChem (CID 87435887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).