ethoxymethylthiourea;hydrochloride

C4H11ClN2OS — CID 23079410

IUPACethoxymethylthiourea;hydrochloride
SMILESCCOCNC(N)=S.Cl
InChIInChI=1S/C4H10N2OS.ClH/c1-2-7-3-6-4(5)8;/h2-3H2,1H3,(H3,5,6,8);1H
InChIKeyBBXZLDWIALGRDI-UHFFFAOYSA-N
MW170.66 g/mol
LogP0.24
Rot. Bonds3

About ethoxymethylthiourea;hydrochloride

ethoxymethylthiourea;hydrochloride (PubChem CID 23079410) has the molecular formula C4H11ClN2OS and a molecular weight of 170.66 g/mol. Its IUPAC name is ethoxymethylthiourea;hydrochloride.

Molecular Properties

Compound Nameethoxymethylthiourea;hydrochloride
PubChem CID23079410
Molecular FormulaC4H11ClN2OS
Molecular Weight170.66 g/mol
Exact Mass170.03
IUPAC Nameethoxymethylthiourea;hydrochloride
SMILESCCOCNC(N)=S.Cl
InChIInChI=1S/C4H10N2OS.ClH/c1-2-7-3-6-4(5)8;/h2-3H2,1H3,(H3,5,6,8);1H
InChIKeyBBXZLDWIALGRDI-UHFFFAOYSA-N
XLogP0.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.66
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxymethylthiourea;hydrochloride?
The IUPAC name of ethoxymethylthiourea;hydrochloride (CID 23079410) is ethoxymethylthiourea;hydrochloride.
What is the SMILES notation for ethoxymethylthiourea;hydrochloride?
The canonical SMILES for ethoxymethylthiourea;hydrochloride is CCOCNC(N)=S.Cl.
What is the InChIKey of ethoxymethylthiourea;hydrochloride?
The InChIKey is BBXZLDWIALGRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS.ClH/c1-2-7-3-6-4(5)8;/h2-3H2,1H3,(H3,5,6,8);1H.
What are the key properties of ethoxymethylthiourea;hydrochloride?
ethoxymethylthiourea;hydrochloride has a molecular weight of 170.66 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethylthiourea;hydrochloride is sourced from PubChem (CID 23079410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).