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2-(4-methylbenzenesulfonyl)ethene-1,1-diamine

2-(4-methylbenzenesulfonyl)ethene-1,1-diamine

CAS: 1378322-19-0

Formula: C9H12N2O2S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)C=C(N)N

IUPAC: 2-(4-methylbenzenesulfonyl)ethene-1,1-diamine

InChI: InChI=1S/C9H12N2O2S/c1-7-2-4-8(5-3-7)14(12,13)6-9(10)11/h2-6H,10-11H2,1H3

Composition: C (50.93%), H (5.70%), N (13.20%), O (15.07%), S (15.10%)

Molar Mass: 212.27

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 212.061948808
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey IDIOIKOJMVRCQX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.21
Topological Polar Surface Area 86.18
Polarizability 21.95
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1378322-19-0 $660.00-$3,894.00$660.00$1,474.00$3,894.00
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