ethoxymethylthiourea;hydron;chloride

C4H11ClN2OS — CID 23032457

IUPACethoxymethylthiourea;hydron;chloride
SMILESCCOCNC(N)=S.[Cl-].[H+]
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
LogP-3.07
Rot. Bonds3

About ethoxymethylthiourea;hydron;chloride

ethoxymethylthiourea;hydron;chloride (PubChem CID 23032457) has the molecular formula C4H11ClN2OS and a molecular weight of 170.66 g/mol. Its IUPAC name is ethoxymethylthiourea;hydron;chloride.

Molecular Properties

Compound Nameethoxymethylthiourea;hydron;chloride
PubChem CID23032457
Molecular FormulaC4H11ClN2OS
Molecular Weight170.66 g/mol
Exact Mass170.03
IUPAC Nameethoxymethylthiourea;hydron;chloride
SMILESCCOCNC(N)=S.[Cl-].[H+]
InChIInChI=1S/C4H10N2OS.ClH/c1-2-7-3-6-4(5)8;/h2-3H2,1H3,(H3,5,6,8);1H
InChIKeyBBXZLDWIALGRDI-UHFFFAOYSA-N
XLogP-3.07
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 ≤ 5-3.07
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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Related Compounds

o-Ethyl methylthiocarbamate
CID 5365210
Carbamothioic acid, methyl-, O-propyl ester
CID 5365293
Ethoxymethylthiourea
CID 23032458
Ethoxymethylthiourea;hydrochloride
CID 23079410
Butoxymethylthiourea
CID 87434548
copper;O-ethyl N-methylcarbamothioate
CID 88806110
Ethoxyethane;methylthiourea
CID 88810952
Ethylperoxymethylthiourea
CID 88877110
N-(ethoxymethyl)carbamothioyl chloride
CID 135275966
1-(Ethoxymethyl)-1-methylthiourea
CID 139655310
ethane;O-ethyl N-methylcarbamothioate
CID 144562571
O-ethyl N-(dimethylcarbamothioyl)carbamothioate
CID 16105032

Frequently Asked Questions

What is the IUPAC name of ethoxymethylthiourea;hydron;chloride?
The IUPAC name of ethoxymethylthiourea;hydron;chloride (CID 23032457) is ethoxymethylthiourea;hydron;chloride.
What is the SMILES notation for ethoxymethylthiourea;hydron;chloride?
The canonical SMILES for ethoxymethylthiourea;hydron;chloride is CCOCNC(N)=S.[Cl-].[H+].
What is the InChIKey of ethoxymethylthiourea;hydron;chloride?
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;hydron;chloride?
ethoxymethylthiourea;hydron;chloride has a molecular weight of 170.66 g/mol, XLogP of -3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethylthiourea;hydron;chloride is sourced from PubChem (CID 23032457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).