Home > Compound List > Compound details
890641-01-7 molecular structure
click picture or here to close

2-[(5-hydroxy-4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide

ChemBase ID: 312129
Molecular Formular: C8H11N3O2S
Molecular Mass: 213.25684
Monoisotopic Mass: 213.05719761
SMILES and InChIs

SMILES:
c1(nc(c(c(n1)C)O)C)SCC(=O)N
Canonical SMILES:
NC(=O)CSc1nc(C)c(c(n1)C)O
InChI:
InChI=1S/C8H11N3O2S/c1-4-7(13)5(2)11-8(10-4)14-3-6(9)12/h13H,3H2,1-2H3,(H2,9,12)
InChIKey:
HJXQNILWCLLKIU-UHFFFAOYSA-N

Cite this record

CBID:312129 http://www.chembase.cn/molecule-312129.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(5-hydroxy-4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
IUPAC Traditional name
2-[(5-hydroxy-4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
Synonyms
2-[(5-hydroxy-4,6-dimethyl-2-pyrimidinyl)thio]acetamide
CAS Number
890641-01-7
MDL Number
MFCD06651802

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 9008388 external link Add to cart
Data Source Data ID Price
ChemBridge
9008388 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.3311108  LogD (pH = 7.4) -0.33350396 
Log P -0.32437956  Molar Refractivity 54.6455 cm3
Polarizability 20.708475 Å3 Polar Surface Area 89.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle