ethylthiourea

C3H8N2S — CID 55288796

IUPACethylthiourea
SMILESCCNC(N)=[35S]
InChIInChI=1S/C3H8N2S/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)/i6+3
InChIKeyGMEHFXXZSWDEDB-TZQHSVHGSA-N
MW107.08 g/mol
LogP-0.16
Rot. Bonds1

About ethylthiourea

ethylthiourea (PubChem CID 55288796) has the molecular formula C3H8N2S and a molecular weight of 107.08 g/mol. Its IUPAC name is ethylthiourea.

Molecular Properties

Compound Nameethylthiourea
PubChem CID55288796
Molecular FormulaC3H8N2S
Molecular Weight107.08 g/mol
Exact Mass107.04
IUPAC Nameethylthiourea
SMILESCCNC(N)=[35S]
InChIInChI=1S/C3H8N2S/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)/i6+3
InChIKeyGMEHFXXZSWDEDB-TZQHSVHGSA-N
XLogP-0.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.08
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylthiourea?
The IUPAC name of ethylthiourea (CID 55288796) is ethylthiourea.
What is the SMILES notation for ethylthiourea?
The canonical SMILES for ethylthiourea is CCNC(N)=[35S].
What is the InChIKey of ethylthiourea?
The InChIKey is GMEHFXXZSWDEDB-TZQHSVHGSA-N. The full InChI is InChI=1S/C3H8N2S/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)/i6+3.
What are the key properties of ethylthiourea?
ethylthiourea has a molecular weight of 107.08 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylthiourea is sourced from PubChem (CID 55288796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).