BMeS-p-A

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CAS Number

1678513-97-7

Synonyms

1,4-Diamino-2,5-bis (methylsulfonyl) benzene / 2,5-Bis (methylsulfonyl) -1,4-phenylenediamine

Purity

>95.0%

Smiles

CS (=O) (=O) C1=CC (=C (C=C1N) S (=O) (=O) C) N

Chemical Information

BMeS-p-A

CAS Number	1678513-97-7
PubChem CID	102360848
IUPAC Name	2,5-bis(methylsulfonyl)benzene-1,4-diamine
Molecular Formula	C8H12N2O4S2
Molecular Weight	264.3
XLogP	0.1
Topological Polar Surface Area	137
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	401

SMILES

CS(=O)(=O)C1=CC(=C(C=C1N)S(=O)(=O)C)N

InChI

InChI=1S/C8H12N2O4S2/c1-15(11,12)7-3-6(10)8(4-5(7)9)16(2,13)14/h3-4H,9-10H2,1-2H3

InChIKey

PBKAXANOUZYEDU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1678513-97-7

CID: 102360848

Formula: C8H12N2O4S2

MW: 264.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.3
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	264.02384922
Monoisotopic Mass	264.02384922
Topological Polar Surface Area	137 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	401
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP16665	P, p'-DDE
OR1043721	P-Methoxybenzylidene p-Phenylazoaniline
OR1043632	P-Hexyloxybenzylidene p-Butylaniline
OR96030-01	P- (p-Chlorophenoxy) phenol
OR1043711	P-Methoxybenzylidene p-Biphenylamine
OR1043688	P-Methoxybenzylidene p-Ethylaniline
OR1043637	P-Decyloxybenzylidene p-Toluidine
OR1043634	P-Hexyloxybenzylidene p-Aminophenol
OR1043622	P-Butoxybenzylidene p-octylaniline
OR1043614	P-Butoxybenzylidene p-Propylaniline

Catalog	Name
DSC51397-01	BMeS-p-A
HY-157093	Cytidine, 5′- (P, P′, P′′, P′′-tetrahydrogen imidotriphosphate)
HY-157091	Uridine, 5'- (P, P', P'', P''-tetrahydrogen imidotriphosphate)
T7440-01	P, p'-DDE
TRC-D470470-500MG	p,p'-Dimethoxytriphenylcarbinol
MBS5772766	p,p'-DDD
HY-B1984-01	P, p'-DDD
QBA61535-01	P, p'-Dimethoxytriphenylcarbinol
T69553-01	P, p'-DDMS
MBS5812099	p,p'-DDMS