methyl 2-({3-amino-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-5-yl}sulfanyl)acetate

methyl 2-({3-amino-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-5-yl}sulfanyl)acetate

Formula: C13H15N3O2S2

SMILES: COC(=O)CSC1=NC(N)=C2C3=C(CCCC3)SC2=N1

IUPAC: methyl 2-({3-amino-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-5-yl}sulfanyl)acetate

InChI: InChI=1S/C13H15N3O2S2/c1-18-9(17)6-19-13-15-11(14)10-7-4-2-3-5-8(7)20-12(10)16-13/h2-6H2,1H3,(H2,14,15,16)

Composition: C (50.47%), H (4.89%), N (13.58%), O (10.34%), S (20.72%)

Molar Mass: 309.4

Atom Count: 35

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	309.060569083
Formal Charge	0
FSP3	0.46
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GRWLZQHDZLJPMI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.16
Topological Polar Surface Area	78.1
Polarizability	31.07
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H15N3O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00