rac-(3R,4R)-3,4-dihydroxy-1lambda6-thiolane-1,1-dione, 95%

Name: rac-(3R,4R)-3,4-dihydroxy-1lambda6-thiolane-1,1-dione
Brand: Chempure

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CAS Number

14176-47-7

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IUPAC name	(3R,4R)-1,1-dioxothiolane-3,4-diol
inchi	InChI=1S/C4H8O4S/c5-3-1-9(7,8)2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1
inchi key	LDVDYVUZEKIBDP-IMJSIDKUSA-N
molecular formula	C4H8O4S
synonyms	14176-47-7 trans-Tetrahydrothiophene-3,4-diol 1,1-dioxide (3R,4R)-1,1-dioxothiolane-3,4-diol 1807940-18-6 3,4-Thiophenediol, tetrahydro-, 1,1-dioxide, (3R,4R)-rel-

Computed Properties

Molecular Weight:	152.17 g/mol
XLogP3:	-1.9
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	0
Exact Mass:	152.01432991 g/mol
Monoisotopic Mass:	152.01432991 g/mol
Topological Polar Surface Area:	83 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	173
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	2
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: BI7169

rac-(3R,4R)-3,4-dihydroxy-1lambda6-thiolane-1,1-dione, 95%

Product No: BI7169

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SAFETY AND HAZARDS

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