1-(dimethylamino)-1-ethylthiourea

C5H13N3S — CID 174359955

IUPAC1-(dimethylamino)-1-ethylthiourea
SMILESCCN(C(N)=S)N(C)C
InChIInChI=1S/C5H13N3S/c1-4-8(5(6)9)7(2)3/h4H2,1-3H3,(H2,6,9)
InChIKeyTXVJQUIWHQCUSN-UHFFFAOYSA-N
MW147.25 g/mol
LogP0.03
Rot. Bonds2

About 1-(dimethylamino)-1-ethylthiourea

1-(dimethylamino)-1-ethylthiourea (PubChem CID 174359955) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is 1-(dimethylamino)-1-ethylthiourea.

Molecular Properties

Compound Name1-(dimethylamino)-1-ethylthiourea
PubChem CID174359955
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Name1-(dimethylamino)-1-ethylthiourea
SMILESCCN(C(N)=S)N(C)C
InChIInChI=1S/C5H13N3S/c1-4-8(5(6)9)7(2)3/h4H2,1-3H3,(H2,6,9)
InChIKeyTXVJQUIWHQCUSN-UHFFFAOYSA-N
XLogP0.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 50.03
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-(dimethylamino)-1-ethylthiourea?
The IUPAC name of 1-(dimethylamino)-1-ethylthiourea (CID 174359955) is 1-(dimethylamino)-1-ethylthiourea.
What is the SMILES notation for 1-(dimethylamino)-1-ethylthiourea?
The canonical SMILES for 1-(dimethylamino)-1-ethylthiourea is CCN(C(N)=S)N(C)C.
What is the InChIKey of 1-(dimethylamino)-1-ethylthiourea?
The InChIKey is TXVJQUIWHQCUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-4-8(5(6)9)7(2)3/h4H2,1-3H3,(H2,6,9).
What are the key properties of 1-(dimethylamino)-1-ethylthiourea?
1-(dimethylamino)-1-ethylthiourea has a molecular weight of 147.25 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-ethylthiourea is sourced from PubChem (CID 174359955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).