1-ethyl-3-methyl-1-(methylamino)thiourea

C5H13N3S — CID 55287471

IUPAC1-ethyl-3-methyl-1-(methylamino)thiourea
SMILESCCN(NC)C(=S)NC
InChIInChI=1S/C5H13N3S/c1-4-8(7-3)5(9)6-2/h7H,4H2,1-3H3,(H,6,9)
InChIKeyXBQRPVXSGXNXPS-UHFFFAOYSA-N
MW147.25 g/mol
LogP-0.05
Rot. Bonds2

About 1-ethyl-3-methyl-1-(methylamino)thiourea

1-ethyl-3-methyl-1-(methylamino)thiourea (PubChem CID 55287471) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is 1-ethyl-3-methyl-1-(methylamino)thiourea.

Molecular Properties

Compound Name1-ethyl-3-methyl-1-(methylamino)thiourea
PubChem CID55287471
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Name1-ethyl-3-methyl-1-(methylamino)thiourea
SMILESCCN(NC)C(=S)NC
InChIInChI=1S/C5H13N3S/c1-4-8(7-3)5(9)6-2/h7H,4H2,1-3H3,(H,6,9)
InChIKeyXBQRPVXSGXNXPS-UHFFFAOYSA-N
XLogP-0.05
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 5-0.05
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-1-(methylamino)thiourea?
The IUPAC name of 1-ethyl-3-methyl-1-(methylamino)thiourea (CID 55287471) is 1-ethyl-3-methyl-1-(methylamino)thiourea.
What is the SMILES notation for 1-ethyl-3-methyl-1-(methylamino)thiourea?
The canonical SMILES for 1-ethyl-3-methyl-1-(methylamino)thiourea is CCN(NC)C(=S)NC.
What is the InChIKey of 1-ethyl-3-methyl-1-(methylamino)thiourea?
The InChIKey is XBQRPVXSGXNXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-4-8(7-3)5(9)6-2/h7H,4H2,1-3H3,(H,6,9).
What are the key properties of 1-ethyl-3-methyl-1-(methylamino)thiourea?
1-ethyl-3-methyl-1-(methylamino)thiourea has a molecular weight of 147.25 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-1-(methylamino)thiourea is sourced from PubChem (CID 55287471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).