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rac-trans-1,2-Bis(2-mercaptoacetamido)cyclohexane Disulfide

rac-trans-1,2-Bis(2-mercaptoacetamido)cyclohexane Disulfide - CAS 1217678-56-2

Catalog:	BB072861
Product Name:	rac-trans-1,2-Bis(2-mercaptoacetamido)cyclohexane Disulfide
CAS:	1217678-56-2
Synonyms:	BMC-Disulfide; (8aR,12aR)-rel-Octahydro-4,5,1,8-benzodithiadiazecine-2,7(3H,6H)-dione

Technical Data

Computed Properties

IUPAC Name:	2-sulfanyl-N'-(2-sulfanylbenzoyl)benzohydrazide
Description:	A useful synthetic intermediate.
Molecular Weight:	260.38
Molecular Formula:	C10H16N2O2S2
Canonical SMILES:	C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2S)S
InChI:	InChI=1S/C14H12N2O2S2/c17-13(9-5-1-3-7-11(9)19)15-16-14(18)10-6-2-4-8-12(10)20/h1-8,19-20H,(H,15,17)(H,16,18)
InChI Key:	BCDWFVITTFIUNV-UHFFFAOYSA-N
Melting Point:	245-250°C
Solubility:	DMSO, Ethyl Acetate
Appearance:	Off-White Solid
Storage:	-20°C

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Related Functional Groups

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Complexity:	331
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	304.03401998
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	304.03401998
Rotatable Bond Count:	2
Topological Polar Surface Area:	60.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7