4-{4-[(E)-[(carbamothioylamino)imino]methyl]-2-methoxyphenoxymethyl}benzoic acid

4-{4-[(E)-[(carbamothioylamino)imino]methyl]-2-methoxyphenoxymethyl}benzoic acid

Formula: C17H17N3O4S

SMILES: COC1=CC(C=NNC(N)=S)=CC=C1OCC1=CC=C(C=C1)C(O)=O

IUPAC: 4-({4-[(E)-[(carbamothioylamino)imino]methyl]-2-methoxyphenoxy}methyl)benzoic acid

InChI: InChI=1S/C17H17N3O4S/c1-23-15-8-12(9-19-20-17(18)25)4-7-14(15)24-10-11-2-5-13(6-3-11)16(21)22/h2-9H,10H2,1H3,(H,21,22)(H3,18,20,25)/b19-9+

Composition: C (56.81%), H (4.77%), N (11.69%), O (17.81%), S (8.92%)

Molar Mass: 359.4

Atom Count: 42

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	359.093977213
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	TXHBYKVIGPFWFJ-DJKKODMXSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.03
Topological Polar Surface Area	106.17
Polarizability	37.4
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H17N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00