methyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate

C5H12N2OS — CID 55287467

IUPACmethyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate
SMILESC/N=C(/NCCO)SC
InChIInChI=1S/C5H12N2OS/c1-6-5(9-2)7-3-4-8/h8H,3-4H2,1-2H3,(H,6,7)
InChIKeyOARZOVKAORDTTF-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.08
Rot. Bonds2

About methyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate

methyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate (PubChem CID 55287467) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is methyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate
PubChem CID55287467
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Namemethyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate
SMILESC/N=C(/NCCO)SC
InChIInChI=1S/C5H12N2OS/c1-6-5(9-2)7-3-4-8/h8H,3-4H2,1-2H3,(H,6,7)
InChIKeyOARZOVKAORDTTF-UHFFFAOYSA-N
XLogP-0.08
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-Hydroxyethylamino)-2-thiazoline
CID 55298190
N-Cyano-S-methyl-N'-(2-hydroxyethyl)isothioharnstoff
CID 2747660
1,4,5,6-Tetrahydro-2-(methylthio)-5-pyrimidinol
CID 18721566
2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol
CID 2777342
2-(6-Methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)ethanol
CID 7020507
5-methylsulfanyl-3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocine
CID 12739154
(5R)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol
CID 93495589

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate?
The IUPAC name of methyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate (CID 55287467) is methyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate.
What is the SMILES notation for methyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate?
The canonical SMILES for methyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate is C/N=C(/NCCO)SC.
What is the InChIKey of methyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate?
The InChIKey is OARZOVKAORDTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-6-5(9-2)7-3-4-8/h8H,3-4H2,1-2H3,(H,6,7).
What are the key properties of methyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate?
methyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate has a molecular weight of 148.23 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-hydroxyethyl)-N'-methylcarbamimidothioate is sourced from PubChem (CID 55287467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).