1-(dimethylamino)-1-ethylthiourea;hydrochloride

C5H14ClN3S — CID 174359954

IUPAC1-(dimethylamino)-1-ethylthiourea;hydrochloride
SMILESCCN(C(N)=S)N(C)C.Cl
InChIInChI=1S/C5H13N3S.ClH/c1-4-8(5(6)9)7(2)3;/h4H2,1-3H3,(H2,6,9);1H
InChIKeyMNLXGKHOFZLYOY-UHFFFAOYSA-N
MW183.71 g/mol
LogP0.45
Rot. Bonds2

About 1-(dimethylamino)-1-ethylthiourea;hydrochloride

1-(dimethylamino)-1-ethylthiourea;hydrochloride (PubChem CID 174359954) has the molecular formula C5H14ClN3S and a molecular weight of 183.71 g/mol. Its IUPAC name is 1-(dimethylamino)-1-ethylthiourea;hydrochloride.

Molecular Properties

Compound Name1-(dimethylamino)-1-ethylthiourea;hydrochloride
PubChem CID174359954
Molecular FormulaC5H14ClN3S
Molecular Weight183.71 g/mol
Exact Mass183.06
IUPAC Name1-(dimethylamino)-1-ethylthiourea;hydrochloride
SMILESCCN(C(N)=S)N(C)C.Cl
InChIInChI=1S/C5H13N3S.ClH/c1-4-8(5(6)9)7(2)3;/h4H2,1-3H3,(H2,6,9);1H
InChIKeyMNLXGKHOFZLYOY-UHFFFAOYSA-N
XLogP0.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.71
LogP ≤ 50.45
H-Bond Donors ≤ 51
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
1-[Carbamothioyl(ethyl)amino]-1-ethylthiourea
CID 21157249
1-Amino-1-propylthiourea
CID 22301223
1-[Carbamothioyl(ethyl)amino]-1-methylthiourea
CID 56977890
1-Ethyl-1-(methylamino)thiourea;hydrochloride
CID 87435887
1-Amino-1-ethyl-3-methylthiourea;hydrochloride
CID 87435888
1-(Diaminomethylideneamino)-1-ethylthiourea
CID 87621037
1-(Diethylamino)-1-methylthiourea
CID 121344971
1-(Dimethylamino)-1-propylthiourea
CID 129715618
1-Ethyl-1-(methylideneamino)thiourea
CID 141330885
[Amino(ethyl)carbamothioyl]azanium bromide
CID 158437148
Amino-carbamothioyl-diethylazanium
CID 21160599

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-ethylthiourea;hydrochloride?
The IUPAC name of 1-(dimethylamino)-1-ethylthiourea;hydrochloride (CID 174359954) is 1-(dimethylamino)-1-ethylthiourea;hydrochloride.
What is the SMILES notation for 1-(dimethylamino)-1-ethylthiourea;hydrochloride?
The canonical SMILES for 1-(dimethylamino)-1-ethylthiourea;hydrochloride is CCN(C(N)=S)N(C)C.Cl.
What is the InChIKey of 1-(dimethylamino)-1-ethylthiourea;hydrochloride?
The InChIKey is MNLXGKHOFZLYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S.ClH/c1-4-8(5(6)9)7(2)3;/h4H2,1-3H3,(H2,6,9);1H.
What are the key properties of 1-(dimethylamino)-1-ethylthiourea;hydrochloride?
1-(dimethylamino)-1-ethylthiourea;hydrochloride has a molecular weight of 183.71 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-ethylthiourea;hydrochloride is sourced from PubChem (CID 174359954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).