3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea

C4H10N2O2S — CID 88764486

IUPAC3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea
SMILESCN(S)C(=O)NCCO
InChIInChI=1S/C4H10N2O2S/c1-6(9)4(8)5-2-3-7/h7,9H,2-3H2,1H3,(H,5,8)
InChIKeyXTFQKCDQPJTTSG-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.54
Rot. Bonds2

About 3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea

3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea (PubChem CID 88764486) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea
PubChem CID88764486
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC Name3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea
SMILESCN(S)C(=O)NCCO
InChIInChI=1S/C4H10N2O2S/c1-6(9)4(8)5-2-3-7/h7,9H,2-3H2,1H3,(H,5,8)
InChIKeyXTFQKCDQPJTTSG-UHFFFAOYSA-N
XLogP-0.54
TPSA52.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-propyl-1-sulfanylurea
CID 56993771
3-(2-hydroxyethyl)-1-methoxy-1-methylurea
CID 89140383
1-cyclopropyl-3-(2-hydroxyethyl)-1-methylurea
CID 131224318
tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate
CID 125496778
3-(5-hydroxypentyl)-1,1-dimethylurea
CID 107302711
2-[2-hydroxyethylcarbamoyl(methyl)amino]ethyl hydrogen sulfite
CID 57114459
N,N'-bis(2-hydroxyethyl)-2,4-bis(sulfanyl)pentanediamide
CID 23104493
N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 14480079
ethane;2-hydroxyethylurea
CID 144763401
[2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium
CID 90929716
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
2-hydroxyethylcarbamoyl(trimethyl)azanium
CID 159325259

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea?
The IUPAC name of 3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea (CID 88764486) is 3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea.
What is the SMILES notation for 3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea?
The canonical SMILES for 3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea is CN(S)C(=O)NCCO.
What is the InChIKey of 3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea?
The InChIKey is XTFQKCDQPJTTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S/c1-6(9)4(8)5-2-3-7/h7,9H,2-3H2,1H3,(H,5,8).
What are the key properties of 3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea?
3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea has a molecular weight of 150.20 g/mol, XLogP of -0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea is sourced from PubChem (CID 88764486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).