tert-Butyl N-[3-(Chlorosulfonyl)propyl]carbamate - CAS 1196153-59-9
Catalog: |
BB070895 |
Product Name: |
tert-Butyl N-[3-(Chlorosulfonyl)propyl]carbamate |
CAS: |
1196153-59-9 |
Synonyms: |
1,1-Dimethylethyl N-[3-(chlorosulfonyl)propyl]carbamate |
IUPAC Name: | tert-butyl N-(3-chlorosulfonylpropyl)carbamate |
Description: | tert-Butyl N-[3-(Chlorosulfonyl)propyl]carbamate may be useful in the preparation of substituted sulfonyl hydrazides as inhibitors of lysine biosynthesis via the diaminopimelate pathway with useful applications as herbicides and/or antibacterial agents. |
Molecular Weight: | 257.73 |
Molecular Formula: | C8H16NO4SCl |
Canonical SMILES: | CC(C)(C)OC(=O)NCCCS(=O)(=O)Cl |
InChI: | InChI=1S/C8H16ClNO4S/c1-8(2,3)14-7(11)10-5-4-6-15(9,12)13/h4-6H2,1-3H3,(H,10,11) |
InChI Key: | OMSPDJMNLOWPPG-UHFFFAOYSA-N |
References: | Perugini, M. A., et al. PCT Int. Appl., WO 2019241850, 89pp. (2019). |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.0488569 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.0488569 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 80.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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