1-ethyl-1-(methylideneamino)thiourea

C4H9N3S — CID 141330885

IUPAC1-ethyl-1-(methylideneamino)thiourea
SMILESC=NN(CC)C(N)=S
InChIInChI=1S/C4H9N3S/c1-3-7(6-2)4(5)8/h2-3H2,1H3,(H2,5,8)
InChIKeyYWSBRWZJXGINBL-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.17
Rot. Bonds2

About 1-ethyl-1-(methylideneamino)thiourea

1-ethyl-1-(methylideneamino)thiourea (PubChem CID 141330885) has the molecular formula C4H9N3S and a molecular weight of 131.20 g/mol. Its IUPAC name is 1-ethyl-1-(methylideneamino)thiourea.

Molecular Properties

Compound Name1-ethyl-1-(methylideneamino)thiourea
PubChem CID141330885
Molecular FormulaC4H9N3S
Molecular Weight131.20 g/mol
Exact Mass131.05
IUPAC Name1-ethyl-1-(methylideneamino)thiourea
SMILESC=NN(CC)C(N)=S
InChIInChI=1S/C4H9N3S/c1-3-7(6-2)4(5)8/h2-3H2,1H3,(H2,5,8)
InChIKeyYWSBRWZJXGINBL-UHFFFAOYSA-N
XLogP0.17
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[Carbamothioyl(ethyl)amino]-1-ethylthiourea
CID 21157249
1-[Carbamothioyl(ethyl)amino]-1-methylthiourea
CID 56977890
1-(Diaminomethylideneamino)-1-ethylthiourea
CID 87621037
1-Ethyl-1-(ethylideneamino)thiourea
CID 88775197
1-(Diethylamino)-1-methylthiourea
CID 121344971
1-(Dimethylamino)-1-propylthiourea
CID 129715618
1-(Dimethylamino)-1-ethylthiourea;hydrochloride
CID 174359954
1-(Dimethylamino)-1-ethylthiourea
CID 174359955

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(methylideneamino)thiourea?
The IUPAC name of 1-ethyl-1-(methylideneamino)thiourea (CID 141330885) is 1-ethyl-1-(methylideneamino)thiourea.
What is the SMILES notation for 1-ethyl-1-(methylideneamino)thiourea?
The canonical SMILES for 1-ethyl-1-(methylideneamino)thiourea is C=NN(CC)C(N)=S.
What is the InChIKey of 1-ethyl-1-(methylideneamino)thiourea?
The InChIKey is YWSBRWZJXGINBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3S/c1-3-7(6-2)4(5)8/h2-3H2,1H3,(H2,5,8).
What are the key properties of 1-ethyl-1-(methylideneamino)thiourea?
1-ethyl-1-(methylideneamino)thiourea has a molecular weight of 131.20 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(methylideneamino)thiourea is sourced from PubChem (CID 141330885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).