ethylaminothiourea;N-methylmethanamine

C5H16N4S — CID 23318727

IUPACethylaminothiourea;N-methylmethanamine
SMILESCCNNC(N)=S.CNC
InChIInChI=1S/C3H9N3S.C2H7N/c1-2-5-6-3(4)7;1-3-2/h5H,2H2,1H3,(H3,4,6,7);3H,1-2H3
InChIKeyLSPCHDPJZVTDEM-UHFFFAOYSA-N
MW164.28 g/mol
LogP-0.82
Rot. Bonds2

About ethylaminothiourea;N-methylmethanamine

ethylaminothiourea;N-methylmethanamine (PubChem CID 23318727) has the molecular formula C5H16N4S and a molecular weight of 164.28 g/mol. Its IUPAC name is ethylaminothiourea;N-methylmethanamine.

Molecular Properties

Compound Nameethylaminothiourea;N-methylmethanamine
PubChem CID23318727
Molecular FormulaC5H16N4S
Molecular Weight164.28 g/mol
Exact Mass164.11
IUPAC Nameethylaminothiourea;N-methylmethanamine
SMILESCCNNC(N)=S.CNC
InChIInChI=1S/C3H9N3S.C2H7N/c1-2-5-6-3(4)7;1-3-2/h5H,2H2,1H3,(H3,4,6,7);3H,1-2H3
InChIKeyLSPCHDPJZVTDEM-UHFFFAOYSA-N
XLogP-0.82
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.28
LogP ≤ 5-0.82
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 ethylaminothiourea;N-methylmethanamine?
The IUPAC name of ethylaminothiourea;N-methylmethanamine (CID 23318727) is ethylaminothiourea;N-methylmethanamine.
What is the SMILES notation for ethylaminothiourea;N-methylmethanamine?
The canonical SMILES for ethylaminothiourea;N-methylmethanamine is CCNNC(N)=S.CNC.
What is the InChIKey of ethylaminothiourea;N-methylmethanamine?
The InChIKey is LSPCHDPJZVTDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3S.C2H7N/c1-2-5-6-3(4)7;1-3-2/h5H,2H2,1H3,(H3,4,6,7);3H,1-2H3.
What are the key properties of ethylaminothiourea;N-methylmethanamine?
ethylaminothiourea;N-methylmethanamine has a molecular weight of 164.28 g/mol, XLogP of -0.82, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylaminothiourea;N-methylmethanamine is sourced from PubChem (CID 23318727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).