Tetrahydro-2H-thiopyran-4-carboxylic Acid 1,1-Dioxide - CAS 64096-87-3
Catalog:
BB032368
Product Name:
Tetrahydro-2H-thiopyran-4-carboxylic Acid 1,1-Dioxide
CAS:
64096-87-3
Synonyms:
1,1-dioxo-4-thianecarboxylic acid; 1,1-dioxothiane-4-carboxylic acid
Ordering Information
Catalog
Size
Price
Stock
Quantity
BB032368
100 g
$1099
In stock
0
1
2
3
4
5
6
7
8
9
IUPAC Name: 1,1-dioxothiane-4-carboxylic acid
Description: Tetrahydro-2H-thiopyran-4-carboxylic Acid 1,1-Dioxide (CAS# 64096-87-3) is a useful research chemical.
Molecular Weight: 178.21
Molecular Formula: C6H10O4S
Canonical SMILES: C1CS(=O)(=O)CCC1C(=O)O
InChI: InChI=1S/C6H10O4S/c7-6(8)5-1-3-11(9,10)4-2-5/h5H,1-4H2,(H,7,8)
InChI Key: RPJRJUVGGDVVDF-UHFFFAOYSA-N
MDL: MFCD03102802
LogP: 0.97660
GHS Hazard Statement: H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement: P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word: Warning
Publication Number Title Priority Date
WO-2021194908-A1 Modified dipeptide cleavases, uses thereof and related kits 20200324
WO-2021062089-A1 Xanthine cb1 inhibitors 20190925
WO-2020231713-A1 AGONISTS OF ROR GAMMAt 20190513
US-2021214701-A1 Modified cleavases, uses thereof and related kits 20190326
WO-2020038812-A1 New process for the preparation of amenamevir 20180820
Complexity: 234
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 178.02997997
Formal Charge: 0
Heavy Atom Count: 11
Hydrogen Bond Acceptor Count: 4
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 178.02997997
Rotatable Bond Count: 1
Topological Polar Surface Area: 79.8 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: -0.4
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS