2,6-dibromo-4-[(E)-[(carbamothioylamino)imino]methyl]phenyl acetate

2,6-dibromo-4-[(E)-[(carbamothioylamino)imino]methyl]phenyl acetate

Formula: C10H9Br2N3O2S

SMILES: CC(=O)OC1=C(Br)C=C(C=NNC(N)=S)C=C1Br

IUPAC: 2,6-dibromo-4-[(E)-[(carbamothioylamino)imino]methyl]phenyl acetate

InChI: InChI=1S/C10H9Br2N3O2S/c1-5(16)17-9-7(11)2-6(3-8(9)12)4-14-15-10(13)18/h2-4H,1H3,(H3,13,15,18)/b14-4+

Composition: C (30.40%), H (2.30%), Br (40.45%), N (10.64%), O (8.10%), S (8.12%)

Molar Mass: 395.07

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	392.878224
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	PYICXDKDXNUAJV-LNKIKWGQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.61
Topological Polar Surface Area	76.71
Polarizability	30.74
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C10H9Br2N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00