1-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}-3-(thiophen-2-ylmethyl)thiourea

1-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}-3-(thiophen-2-ylmethyl)thiourea

Formula: C16H15N5O2S3

SMILES: O=S(=O)(NC1=NC=CC=N1)C1=CC=C(NC(=S)NCC2=CC=CS2)C=C1

IUPAC: 1-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}-3-[(thiophen-2-yl)methyl]thiourea

InChI: InChI=1S/C16H15N5O2S3/c22-26(23,21-15-17-8-2-9-18-15)14-6-4-12(5-7-14)20-16(24)19-11-13-3-1-10-25-13/h1-10H,11H2,(H,17,18,21)(H2,19,20,24)

Composition: C (47.39%), H (3.73%), N (17.27%), O (7.89%), S (23.72%)

Molar Mass: 405.51

Atom Count: 41

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	405.038788265
Formal Charge	0
FSP3	0.06
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	QPALEFNHSMWBHV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.43
Topological Polar Surface Area	96.01
Polarizability	41.06
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H15N5O2S3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00