3-amino-1-ethyl-1-methylthiourea

C4H11N3S — CID 15182084

IUPAC3-amino-1-ethyl-1-methylthiourea
SMILESCCN(C)C(=S)NN
InChIInChI=1S/C4H11N3S/c1-3-7(2)4(8)6-5/h3,5H2,1-2H3,(H,6,8)
InChIKeyHIXCNDGQKCADSN-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.31
Rot. Bonds1

About 3-amino-1-ethyl-1-methylthiourea

3-amino-1-ethyl-1-methylthiourea (PubChem CID 15182084) has the molecular formula C4H11N3S and a molecular weight of 133.22 g/mol. Its IUPAC name is 3-amino-1-ethyl-1-methylthiourea.

Molecular Properties

Compound Name3-amino-1-ethyl-1-methylthiourea
PubChem CID15182084
Molecular FormulaC4H11N3S
Molecular Weight133.22 g/mol
Exact Mass133.07
IUPAC Name3-amino-1-ethyl-1-methylthiourea
SMILESCCN(C)C(=S)NN
InChIInChI=1S/C4H11N3S/c1-3-7(2)4(8)6-5/h3,5H2,1-2H3,(H,6,8)
InChIKeyHIXCNDGQKCADSN-UHFFFAOYSA-N
XLogP-0.31
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.31
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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Related Compounds

N-(2-((Hydrazinocarbothioyl)(methyl)amino)ethyl)-N-methylhydrazinecarbothioamide
CID 3005302
3-Amino-1-methyl-1-(2,2,2-trifluoroethyl)thiourea
CID 58202126
N,N-Diethylhydrazinecarbothioamide
CID 5372930
4-ethyl-4H-1,2,4-triazole-3,5-dithiol
CID 12421608
1-Ethyl-3-(methylamino)thiourea
CID 15685569
3-Amino-1,1-di(propan-2-yl)thiourea
CID 55279270
1,1-Diethyl-3-(methylamino)thiourea
CID 87392801
1,3-Diamino-1-ethylthiourea
CID 88152383
3-Amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane
CID 144731060
3-Amino-1-methyl-1-propan-2-ylthiourea
CID 145284853
1,3-Diamino-1-[2-(dimethylamino)ethyl]thiourea
CID 155112625
3-Amino-1-methyl-1-propylthiourea
CID 156741750

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-1-methylthiourea?
The IUPAC name of 3-amino-1-ethyl-1-methylthiourea (CID 15182084) is 3-amino-1-ethyl-1-methylthiourea.
What is the SMILES notation for 3-amino-1-ethyl-1-methylthiourea?
The canonical SMILES for 3-amino-1-ethyl-1-methylthiourea is CCN(C)C(=S)NN.
What is the InChIKey of 3-amino-1-ethyl-1-methylthiourea?
The InChIKey is HIXCNDGQKCADSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S/c1-3-7(2)4(8)6-5/h3,5H2,1-2H3,(H,6,8).
What are the key properties of 3-amino-1-ethyl-1-methylthiourea?
3-amino-1-ethyl-1-methylthiourea has a molecular weight of 133.22 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-1-methylthiourea is sourced from PubChem (CID 15182084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).