Home > Compound List > Compound details
32258-50-7 molecular structure
click picture or here to close

methyl N-methyl-N-(4-methylbenzenesulfonyl)carbamate

ChemBase ID: 174393
Molecular Formular: C10H13NO4S
Molecular Mass: 243.27952
Monoisotopic Mass: 243.0565289
SMILES and InChIs

SMILES:
c1c(ccc(c1)S(=O)(=O)N(C(=O)OC)C)C
Canonical SMILES:
COC(=O)N(S(=O)(=O)c1ccc(cc1)C)C
InChI:
InChI=1S/C10H13NO4S/c1-8-4-6-9(7-5-8)16(13,14)11(2)10(12)15-3/h4-7H,1-3H3
InChIKey:
HNFZTGPTWQRQQX-UHFFFAOYSA-N

Cite this record

CBID:174393 http://www.chembase.cn/molecule-174393.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl N-methyl-N-(4-methylbenzenesulfonyl)carbamate
IUPAC Traditional name
methyl N-methyl-N-(4-methylbenzenesulfonyl)carbamate
Synonyms
Methyl N-Methyl(p-tosyl)carbamate
Methyl[(4-methylphenyl)sulfonyl]carbamic Acid Methyl Ester
Methyl(p-tolylsulfonyl)carbamic Acid Methyl Ester
N-Methyl(p-tosyl)carbamic Acid Methyl Ester
CAS Number
32258-50-7
PubChem SID
164230303
PubChem CID
562882

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M330895 external link Add to cart
PubChem 562882 external link
Data Source Data ID Price
TRC
M330895 external link Add to cart Please log in.
Data Source Data ID
PubChem 562882 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9242735  LogD (pH = 7.4) 1.9242735 
Log P 1.9242735  Molar Refractivity 59.3433 cm3
Polarizability 23.72328 Å3 Polar Surface Area 63.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M330895 external link
N-Methyl(p-tosyl)carbamic Acid Methyl Ester is a methyl ester derivative of N-[(arylsulfonyl)methyl]carbamates that display intramolecular shielding.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Van der Werf, S. et al.: Rec. Trav. Chim. Pays-Bas, 89, 423 (1970)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle