AG00F9XE

67734-35-4 | (R)-tert-Butanethiosulfinate

AG00F9XE

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CAS Number	67734-35-4
Catalog Number	AG00F9XE(AGN-PC-0TPYY7)
Chemical Name	(R)-tert-Butanethiosulfinate
IUPAC Name	2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane
InChI	InChI=1S/C8H18OS2/c1-7(2,3)10-11(9)8(4,5)6/h1-6H3/t11-/m1/s1
InChI Key	ZFKIFCIQBZYNIQ-LLVKDONJSA-N
MDL Number	MFCD08460193
Molecular Formula	C8H18OS2
Molecular Weight	194.3579
SMILES	CC([S@@](SC(C)(C)C)=O)(C)C
Synonyms	67734-35-4, (R)-S-tert-butyl 2-methylpropane-2-sulfinothioate, (R)-(+)-tert-Butyl tert-butanethiosulfinate, SCHEMBL13754234, KS-00000L5O, ZINC4621016, CB-148, MFCD08460193, AKOS016842301, DS-5253, MP-0909, RL04591, AK111546, CJ-12173, AX8041949, FT-0646470, Z5026, (R)-tert-Butanethiosulfinate, -tert-Butanethiosulfinate, C8H18OS2, NSC122681, CID10932336, (R)-S-tert-Butyl2-methylpropane-2-sulfinothioate, (S)-S-tert-butyl 2-methylpropane-2-sulfinothioate, 60011-16-7,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	194.08g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.351g/mol
Monoisotopic Mass	194.08g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	61.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number