1-amino-3-ethylthiourea;1-amino-1-methylthiourea

C5H16N6S2 — CID 135125095

IUPAC1-amino-3-ethylthiourea;1-amino-1-methylthiourea
SMILESCCNC(=S)NN.CN(N)C(N)=S
InChIInChI=1S/C3H9N3S.C2H7N3S/c1-2-5-3(7)6-4;1-5(4)2(3)6/h2,4H2,1H3,(H2,5,6,7);4H2,1H3,(H2,3,6)
InChIKeyYWGKJVJSALBFEE-UHFFFAOYSA-N
MW224.36 g/mol
LogP-1.62
Rot. Bonds1

About 1-amino-3-ethylthiourea;1-amino-1-methylthiourea

1-amino-3-ethylthiourea;1-amino-1-methylthiourea (PubChem CID 135125095) has the molecular formula C5H16N6S2 and a molecular weight of 224.36 g/mol. Its IUPAC name is 1-amino-3-ethylthiourea;1-amino-1-methylthiourea.

Molecular Properties

Compound Name1-amino-3-ethylthiourea;1-amino-1-methylthiourea
PubChem CID135125095
Molecular FormulaC5H16N6S2
Molecular Weight224.36 g/mol
Exact Mass224.09
IUPAC Name1-amino-3-ethylthiourea;1-amino-1-methylthiourea
SMILESCCNC(=S)NN.CN(N)C(N)=S
InChIInChI=1S/C3H9N3S.C2H7N3S/c1-2-5-3(7)6-4;1-5(4)2(3)6/h2,4H2,1H3,(H2,5,6,7);4H2,1H3,(H2,3,6)
InChIKeyYWGKJVJSALBFEE-UHFFFAOYSA-N
XLogP-1.62
TPSA105.36 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.36
LogP ≤ 5-1.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-3-ethylthiourea;1-amino-1-methylthiourea?
The IUPAC name of 1-amino-3-ethylthiourea;1-amino-1-methylthiourea (CID 135125095) is 1-amino-3-ethylthiourea;1-amino-1-methylthiourea.
What is the SMILES notation for 1-amino-3-ethylthiourea;1-amino-1-methylthiourea?
The canonical SMILES for 1-amino-3-ethylthiourea;1-amino-1-methylthiourea is CCNC(=S)NN.CN(N)C(N)=S.
What is the InChIKey of 1-amino-3-ethylthiourea;1-amino-1-methylthiourea?
The InChIKey is YWGKJVJSALBFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3S.C2H7N3S/c1-2-5-3(7)6-4;1-5(4)2(3)6/h2,4H2,1H3,(H2,5,6,7);4H2,1H3,(H2,3,6).
What are the key properties of 1-amino-3-ethylthiourea;1-amino-1-methylthiourea?
1-amino-3-ethylthiourea;1-amino-1-methylthiourea has a molecular weight of 224.36 g/mol, XLogP of -1.62, 1 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethylthiourea;1-amino-1-methylthiourea is sourced from PubChem (CID 135125095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).