1-(diethylamino)-1-methylthiourea

C6H15N3S — CID 121344971

IUPAC1-(diethylamino)-1-methylthiourea
SMILESCCN(CC)N(C)C(N)=S
InChIInChI=1S/C6H15N3S/c1-4-9(5-2)8(3)6(7)10/h4-5H2,1-3H3,(H2,7,10)
InChIKeyPMTHKWLIJOQYTH-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.42
Rot. Bonds3

About 1-(diethylamino)-1-methylthiourea

1-(diethylamino)-1-methylthiourea (PubChem CID 121344971) has the molecular formula C6H15N3S and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-(diethylamino)-1-methylthiourea.

Molecular Properties

Compound Name1-(diethylamino)-1-methylthiourea
PubChem CID121344971
Molecular FormulaC6H15N3S
Molecular Weight161.27 g/mol
Exact Mass161.10
IUPAC Name1-(diethylamino)-1-methylthiourea
SMILESCCN(CC)N(C)C(N)=S
InChIInChI=1S/C6H15N3S/c1-4-9(5-2)8(3)6(7)10/h4-5H2,1-3H3,(H2,7,10)
InChIKeyPMTHKWLIJOQYTH-UHFFFAOYSA-N
XLogP0.42
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
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-(diethylamino)-1-methylthiourea?
The IUPAC name of 1-(diethylamino)-1-methylthiourea (CID 121344971) is 1-(diethylamino)-1-methylthiourea.
What is the SMILES notation for 1-(diethylamino)-1-methylthiourea?
The canonical SMILES for 1-(diethylamino)-1-methylthiourea is CCN(CC)N(C)C(N)=S.
What is the InChIKey of 1-(diethylamino)-1-methylthiourea?
The InChIKey is PMTHKWLIJOQYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3S/c1-4-9(5-2)8(3)6(7)10/h4-5H2,1-3H3,(H2,7,10).
What are the key properties of 1-(diethylamino)-1-methylthiourea?
1-(diethylamino)-1-methylthiourea has a molecular weight of 161.27 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-1-methylthiourea is sourced from PubChem (CID 121344971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).