1-ethyl-3-(2-methylhydrazinyl)thiourea

C4H12N4S — CID 126487857

IUPAC1-ethyl-3-(2-methylhydrazinyl)thiourea
SMILESCCNC(=S)NNNC
InChIInChI=1S/C4H12N4S/c1-3-6-4(9)7-8-5-2/h5,8H,3H2,1-2H3,(H2,6,7,9)
InChIKeySDUCYKDYGOMPKE-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.89
Rot. Bonds3

About 1-ethyl-3-(2-methylhydrazinyl)thiourea

1-ethyl-3-(2-methylhydrazinyl)thiourea (PubChem CID 126487857) has the molecular formula C4H12N4S and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylhydrazinyl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(2-methylhydrazinyl)thiourea
PubChem CID126487857
Molecular FormulaC4H12N4S
Molecular Weight148.23 g/mol
Exact Mass148.08
IUPAC Name1-ethyl-3-(2-methylhydrazinyl)thiourea
SMILESCCNC(=S)NNNC
InChIInChI=1S/C4H12N4S/c1-3-6-4(9)7-8-5-2/h5,8H,3H2,1-2H3,(H2,6,7,9)
InChIKeySDUCYKDYGOMPKE-UHFFFAOYSA-N
XLogP-0.89
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylhydrazinyl)thiourea?
The IUPAC name of 1-ethyl-3-(2-methylhydrazinyl)thiourea (CID 126487857) is 1-ethyl-3-(2-methylhydrazinyl)thiourea.
What is the SMILES notation for 1-ethyl-3-(2-methylhydrazinyl)thiourea?
The canonical SMILES for 1-ethyl-3-(2-methylhydrazinyl)thiourea is CCNC(=S)NNNC.
What is the InChIKey of 1-ethyl-3-(2-methylhydrazinyl)thiourea?
The InChIKey is SDUCYKDYGOMPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4S/c1-3-6-4(9)7-8-5-2/h5,8H,3H2,1-2H3,(H2,6,7,9).
What are the key properties of 1-ethyl-3-(2-methylhydrazinyl)thiourea?
1-ethyl-3-(2-methylhydrazinyl)thiourea has a molecular weight of 148.23 g/mol, XLogP of -0.89, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylhydrazinyl)thiourea is sourced from PubChem (CID 126487857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).