1-(dimethylamino)ethylidenethiourea

C5H11N3S — CID 86208119

IUPAC1-(dimethylamino)ethylidenethiourea
SMILESCC(=NC(N)=S)N(C)C
InChIInChI=1S/C5H11N3S/c1-4(8(2)3)7-5(6)9/h1-3H3,(H2,6,9)
InChIKeySZCZDSRYTNGUCJ-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.21
Rot. Bonds

About 1-(dimethylamino)ethylidenethiourea

1-(dimethylamino)ethylidenethiourea (PubChem CID 86208119) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is 1-(dimethylamino)ethylidenethiourea.

Molecular Properties

Compound Name1-(dimethylamino)ethylidenethiourea
PubChem CID86208119
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Name1-(dimethylamino)ethylidenethiourea
SMILESCC(=NC(N)=S)N(C)C
InChIInChI=1S/C5H11N3S/c1-4(8(2)3)7-5(6)9/h1-3H3,(H2,6,9)
InChIKeySZCZDSRYTNGUCJ-UHFFFAOYSA-N
XLogP0.21
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethylidenethiourea?
The IUPAC name of 1-(dimethylamino)ethylidenethiourea (CID 86208119) is 1-(dimethylamino)ethylidenethiourea.
What is the SMILES notation for 1-(dimethylamino)ethylidenethiourea?
The canonical SMILES for 1-(dimethylamino)ethylidenethiourea is CC(=NC(N)=S)N(C)C.
What is the InChIKey of 1-(dimethylamino)ethylidenethiourea?
The InChIKey is SZCZDSRYTNGUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3S/c1-4(8(2)3)7-5(6)9/h1-3H3,(H2,6,9).
What are the key properties of 1-(dimethylamino)ethylidenethiourea?
1-(dimethylamino)ethylidenethiourea has a molecular weight of 145.23 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethylidenethiourea is sourced from PubChem (CID 86208119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).