[ethyl(methyl)amino]thiourea

C4H11N3S — CID 55290298

IUPAC[ethyl(methyl)amino]thiourea
SMILESCCN(C)NC(N)=S
InChIInChI=1S/C4H11N3S/c1-3-7(2)6-4(5)8/h3H2,1-2H3,(H3,5,6,8)
InChIKeyDBCKMFADQNZVPY-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.31
Rot. Bonds2

About [ethyl(methyl)amino]thiourea

[ethyl(methyl)amino]thiourea (PubChem CID 55290298) has the molecular formula C4H11N3S and a molecular weight of 133.22 g/mol. Its IUPAC name is [ethyl(methyl)amino]thiourea.

Molecular Properties

Compound Name[ethyl(methyl)amino]thiourea
PubChem CID55290298
Molecular FormulaC4H11N3S
Molecular Weight133.22 g/mol
Exact Mass133.07
IUPAC Name[ethyl(methyl)amino]thiourea
SMILESCCN(C)NC(N)=S
InChIInChI=1S/C4H11N3S/c1-3-7(2)6-4(5)8/h3H2,1-2H3,(H3,5,6,8)
InChIKeyDBCKMFADQNZVPY-UHFFFAOYSA-N
XLogP-0.31
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
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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Related Compounds

N-diethyl thiosemicarbazide
CID 55290674
N-dipropylthiosemicarbazone
CID 86251649
1-(Ethylamino)-1-methylthiourea
CID 55290296
[Di(propan-2-yl)amino]thiourea
CID 85705799
1-Ethyl-1-(methylamino)thiourea;hydrochloride
CID 87435887
1-Ethyl-1-(ethylamino)thiourea
CID 159138018
CID 173459381
CID 173459381
1-(Carbamothioylamino)-1-ethylthiourea
CID 174746533
[Methyl(propan-2-yl)amino]thiourea
CID 177942299
1-[Ethyl(methyl)amino]-3-methylthiourea
CID 55286387
1-Ethyl-1-(methylamino)thiourea
CID 55290106
1-(Diethylamino)-3-methylthiourea
CID 129931108

Frequently Asked Questions

What is the IUPAC name of [ethyl(methyl)amino]thiourea?
The IUPAC name of [ethyl(methyl)amino]thiourea (CID 55290298) is [ethyl(methyl)amino]thiourea.
What is the SMILES notation for [ethyl(methyl)amino]thiourea?
The canonical SMILES for [ethyl(methyl)amino]thiourea is CCN(C)NC(N)=S.
What is the InChIKey of [ethyl(methyl)amino]thiourea?
The InChIKey is DBCKMFADQNZVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S/c1-3-7(2)6-4(5)8/h3H2,1-2H3,(H3,5,6,8).
What are the key properties of [ethyl(methyl)amino]thiourea?
[ethyl(methyl)amino]thiourea has a molecular weight of 133.22 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(methyl)amino]thiourea is sourced from PubChem (CID 55290298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).