3-Thiomorpholinecarboxylic acid
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3-Thiomorpholinecarboxylic acid
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CAS No:
20960-92-3
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Formula:
C5H9NO2S
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Chemical Name:
3-Thiomorpholinecarboxylic acid
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Synonyms:
3-Thiomorpholinecarboxylic acid;1,4-Thiomorpholine-3-carboxylic acid;(RS)-Thiomorpholine-3-carboxylic acid;128453-99-6
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CAS No:
Description
Solid
Thiomorpholine-3-carboxylic acid is a thiomorpholinemonocarboxylic acid having the carboxy group at the 3-position. It is a conjugate acid of a thiomorpholine-3-carboxylate. It is a tautomer of a thiomorpholine-3-carboxylic acid zwitterion.
Characteristics
74.63000
0.10480
1.288±0.06 g/cm3
270-278°C
334.6±37.0 °C(Predicted)
156.1ºC
1.609
4.38E-06mmHg at 25°C
2.09±0.20
Safety Information
3
Xi
|Warning|H302+H312+H332 (97.44%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:147.20
XLogP3:-2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:147.03539970
Monoisotopic Mass:147.03539970
Topological Polar Surface Area:74.6
Heavy Atom Count:9
Complexity:118
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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