(Z)-N-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N''-(4-methylbenzenesulfonyl)-N'-(4-methylphenyl)guanidine

(Z)-N-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N''-(4-methylbenzenesulfonyl)-N'-(4-methylphenyl)guanidine

Formula: C21H23N5O2S

SMILES: CC1=CC(C)=NC(N1)=NC(NC1=CC=C(C)C=C1)=N/S(=O)(=O)C1=CC=C(C)C=C1

IUPAC: (Z)-N-(4,6-dimethyl-1,2-dihydropyrimidin-2-ylidene)-N''-(4-methylbenzenesulfonyl)-N'-(4-methylphenyl)guanidine

InChI: InChI=1S/C21H23N5O2S/c1-14-5-9-18(10-6-14)24-21(25-20-22-16(3)13-17(4)23-20)26-29(27,28)19-11-7-15(2)8-12-19/h5-13H,1-4H3,(H2,22,23,24,25,26)

Composition: C (61.59%), H (5.66%), N (17.10%), O (7.81%), S (7.83%)

Molar Mass: 409.51

Atom Count: 52

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	409.157246175
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	GFEPUDBCBRBFDZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.58
Topological Polar Surface Area	95.28
Polarizability	43.96
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H23N5O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00