1-ethyl-1-[2-(methylamino)ethyl]thiourea

C6H15N3S — CID 143436514

IUPAC1-ethyl-1-[2-(methylamino)ethyl]thiourea
SMILESCCN(CCNC)C(N)=S
InChIInChI=1S/C6H15N3S/c1-3-9(6(7)10)5-4-8-2/h8H,3-5H2,1-2H3,(H2,7,10)
InChIKeyHNBFFLXXQNTSSY-UHFFFAOYSA-N
MW161.27 g/mol
LogP-0.23
Rot. Bonds4

About 1-ethyl-1-[2-(methylamino)ethyl]thiourea

1-ethyl-1-[2-(methylamino)ethyl]thiourea (PubChem CID 143436514) has the molecular formula C6H15N3S and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-ethyl-1-[2-(methylamino)ethyl]thiourea.

Molecular Properties

Compound Name1-ethyl-1-[2-(methylamino)ethyl]thiourea
PubChem CID143436514
Molecular FormulaC6H15N3S
Molecular Weight161.27 g/mol
Exact Mass161.10
IUPAC Name1-ethyl-1-[2-(methylamino)ethyl]thiourea
SMILESCCN(CCNC)C(N)=S
InChIInChI=1S/C6H15N3S/c1-3-9(6(7)10)5-4-8-2/h8H,3-5H2,1-2H3,(H2,7,10)
InChIKeyHNBFFLXXQNTSSY-UHFFFAOYSA-N
XLogP-0.23
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[2-(methylamino)ethyl]thiourea?
The IUPAC name of 1-ethyl-1-[2-(methylamino)ethyl]thiourea (CID 143436514) is 1-ethyl-1-[2-(methylamino)ethyl]thiourea.
What is the SMILES notation for 1-ethyl-1-[2-(methylamino)ethyl]thiourea?
The canonical SMILES for 1-ethyl-1-[2-(methylamino)ethyl]thiourea is CCN(CCNC)C(N)=S.
What is the InChIKey of 1-ethyl-1-[2-(methylamino)ethyl]thiourea?
The InChIKey is HNBFFLXXQNTSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3S/c1-3-9(6(7)10)5-4-8-2/h8H,3-5H2,1-2H3,(H2,7,10).
What are the key properties of 1-ethyl-1-[2-(methylamino)ethyl]thiourea?
1-ethyl-1-[2-(methylamino)ethyl]thiourea has a molecular weight of 161.27 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[2-(methylamino)ethyl]thiourea is sourced from PubChem (CID 143436514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).