(S)-1-Cbz-pyrrolidine-3-sulfonyl Chloride - CAS 1251071-16-5
Catalog: |
BB006073 |
Product Name: |
(S)-1-Cbz-pyrrolidine-3-sulfonyl Chloride |
CAS: |
1251071-16-5 |
Synonyms: |
(3S)-3-chlorosulfonyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester; benzyl (3S)-3-chlorosulfonylpyrrolidine-1-carboxylate |
IUPAC Name: | benzyl (3S)-3-chlorosulfonylpyrrolidine-1-carboxylate |
Description: | (S)-1-Cbz-pyrrolidine-3-sulfonyl Chloride (CAS# 1251071-16-5) is a useful research chemical. |
Molecular Weight: | 303.76 |
Molecular Formula: | C12H14ClNO4S |
Canonical SMILES: | C1CN(CC1S(=O)(=O)Cl)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C12H14ClNO4S/c13-19(16,17)11-6-7-14(8-11)12(15)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m0/s1 |
InChI Key: | KGTKAEIBOSEJKH-NSHDSACASA-N |
LogP: | 2.98480 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020058913-A1 | Isoxazole carboxamide compounds and uses thereof | 20180921 |
Complexity: | 414 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 303.0332068 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 303.0332068 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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