CAS
100592-11-8 Purity
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100592-11-8 Purity
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2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoic acid
CAS
100610-68-2
Catalog Number
ACM100610682
Category
Other Products
Molecular Weight
283.35
Molecular Formula
C13H17NO4S
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- Product Description
- Case Study
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- Synthetic Use
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Specification
Synonyms
ZINC00166316, 100610-68-2
IUPAC Name
(2S)-2-(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)-3-phenylpropanoate
Canonical SMILES
C1CS(=O)(=O)CCN1C(CC2=CC=CC=C2)C(=O)O
InChI Key
UDDLQGMQPCGTPD-LBPRGKRZSA-N
Boiling Point
509.9ºC at 760mmHg
Melting Point
119-121ºC
Flash Point
262.2ºC
Density
1.339g/cm³
Exact Mass
283.08800
H-Bond Acceptor
4
H-Bond Donor
1
Upstream Synthesis Route 1
- 77-77-0
- 63-91-2
- 100610-68-2
Reference: [1]Ford-Moore
[Journal of the Chemical Society, 1949, p. 2433,2440]
Upstream Synthesis Route 2
- 471-03-4
- 63-91-2
- 100610-68-2
Reference: [1]Ford-Moore
[Journal of the Chemical Society, 1949, p. 2433,2440]
[2]FRANCIS; RICHARDS; WORMALL
[Biochemical Journal, 1957, vol. 66, # 1, p. 142 - 144]
Boursnell; Francis; Wormall
[Biochemical Journal, 1946, vol. 40, p. 739]
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