1-amino-3-ethylthiourea;hydrochloride

C3H10ClN3S — CID 12618719

IUPAC1-amino-3-ethylthiourea;hydrochloride
SMILESCCNC(=S)NN.Cl
InChIInChI=1S/C3H9N3S.ClH/c1-2-5-3(7)6-4;/h2,4H2,1H3,(H2,5,6,7);1H
InChIKeyKREPROIAGLSIGW-UHFFFAOYSA-N
MW155.65 g/mol
LogP-0.23
Rot. Bonds1

About 1-amino-3-ethylthiourea;hydrochloride

1-amino-3-ethylthiourea;hydrochloride (PubChem CID 12618719) has the molecular formula C3H10ClN3S and a molecular weight of 155.65 g/mol. Its IUPAC name is 1-amino-3-ethylthiourea;hydrochloride.

Molecular Properties

Compound Name1-amino-3-ethylthiourea;hydrochloride
PubChem CID12618719
Molecular FormulaC3H10ClN3S
Molecular Weight155.65 g/mol
Exact Mass155.03
IUPAC Name1-amino-3-ethylthiourea;hydrochloride
SMILESCCNC(=S)NN.Cl
InChIInChI=1S/C3H9N3S.ClH/c1-2-5-3(7)6-4;/h2,4H2,1H3,(H2,5,6,7);1H
InChIKeyKREPROIAGLSIGW-UHFFFAOYSA-N
XLogP-0.23
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.65
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
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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Related Compounds

4-Ethyl-3-thiosemicarbazide
CID 1551780
3-Amino-1-butylthiourea
CID 1810303
n-Propylhydrazinecarbothioamide
CID 1810736
4-Isopropyl-3-thiosemicarbazide
CID 1809376
1-Ethyl-3-(ethylcarbamothioylamino)thiourea
CID 3500055
1-Amino-3-(ethylcarbamothioylamino)thiourea
CID 130721573
4-Sec-butyl-thiosemicarbazide
CID 3962768
N-Ethyl-2,2-dimethylhydrazine-1-carbothioamide
CID 4253634
3-Amino-ethylisothiourea hydrobromide
CID 129722521
1-Amino-3-(2-fluoroethyl)thiourea
CID 130504363
Hydrazinecarbothioamide, N-[2-(dimethylamino)ethyl]-
CID 10352005
4-Isobutylthiosemicarbazide
CID 12367441

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethylthiourea;hydrochloride?
The IUPAC name of 1-amino-3-ethylthiourea;hydrochloride (CID 12618719) is 1-amino-3-ethylthiourea;hydrochloride.
What is the SMILES notation for 1-amino-3-ethylthiourea;hydrochloride?
The canonical SMILES for 1-amino-3-ethylthiourea;hydrochloride is CCNC(=S)NN.Cl.
What is the InChIKey of 1-amino-3-ethylthiourea;hydrochloride?
The InChIKey is KREPROIAGLSIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3S.ClH/c1-2-5-3(7)6-4;/h2,4H2,1H3,(H2,5,6,7);1H.
What are the key properties of 1-amino-3-ethylthiourea;hydrochloride?
1-amino-3-ethylthiourea;hydrochloride has a molecular weight of 155.65 g/mol, XLogP of -0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethylthiourea;hydrochloride is sourced from PubChem (CID 12618719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).