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(S)-4,5,6-Tetrahydro-3H-pyrrolo[1,2-c]oxathiazole 1,1-dioxide

(S)-4,5,6-Tetrahydro-3H-pyrrolo[1,2-c]oxathiazole 1,1-dioxide - CAS 132635-95-1

Name: (S)-4,5,6-Tetrahydro-3H-pyrrolo[1,2-c]oxathiazole 1,1-dioxide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007610
Product Name:	(S)-4,5,6-Tetrahydro-3H-pyrrolo[1,2-c]oxathiazole 1,1-dioxide
CAS:	132635-95-1
Synonyms:	(3aS)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c]oxathiazole 1,1-dioxide

Technical Data

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Computed Properties

IUPAC Name:	(3aS)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c]oxathiazole 1,1-dioxide
Description:	(S)-4,5,6-Tetrahydro-3H-pyrrolo[1,2-c]oxathiazole 1,1-dioxide (CAS# 132635-95-1) is a useful research chemical.
Molecular Weight:	163.19
Molecular Formula:	C5H9NO3S
Canonical SMILES:	C1CC2COS(=O)(=O)N2C1
InChI:	InChI=1S/C5H9NO3S/c7-10(8)6-3-1-2-5(6)4-9-10/h5H,1-4H2/t5-/m0/s1
InChI Key:	WFFHPXGNIIMFHE-YFKPBYRVSA-N
Purity:	95 %
LogP:	0.74450

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Related Functional Groups

Oxazole/Thiazole

[859473-05-5]C9H6Cl2N2S
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1018165-66-6]C10H9NO5
2-[(5-(2-Furyl)isoxazol-3-yl)methoxy]acetic acid
[13610-81-6]C9H7NO3
(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde
[262857-90-9]C10H12N2O2
(R)-4-(4-Aminobenzyl)-2-oxazolidinone
[117043-86-4]C4H7ClN2S
4-(Aminomethyl)thiazole Hydrochloride
[132089-32-8]C13H13NO2S
Ethyl 2-(4-methylphenyl)-thiazole-4-carboxylate

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Publication Number	Title	Priority Date
AU-2012335194-A1	2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-yl)picolinamide derivatives as orexin receptor antagonists	20111108
AU-2012335194-B2	2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-yl)picolinamide derivatives as orexin receptor antagonists	20111108
CA-2846568-A1	2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-yl)picolinamide derivatives as orexin receptor antagonists	20111108
CA-2846568-C	2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-yl)picolinamide derivatives as orexin receptor antagonists	20111108
DK-2776430-T3	2- (1,2,3-triazol-2-yl) benzamide and 3- (1,2,3-triazol-2-yl) PICOLINAMIDDERIVATER AS orexin receptor antagonists	20111108

Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	163.03031432
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.03031432
Rotatable Bond Count:	0
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1