5-(heptylsulfanyl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-3-amine

5-(heptylsulfanyl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-3-amine

Formula: C17H25N3S2

SMILES: CCCCCCCSC1=NC(N)=C2C3=C(CCCC3)SC2=N1

IUPAC: 5-(heptylsulfanyl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-3-amine

InChI: InChI=1S/C17H25N3S2/c1-2-3-4-5-8-11-21-17-19-15(18)14-12-9-6-7-10-13(12)22-16(14)20-17/h2-11H2,1H3,(H2,18,19,20)

Composition: C (60.86%), H (7.51%), N (12.52%), S (19.11%)

Molar Mass: 335.53

Atom Count: 47

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	335.148990165
Formal Charge	0
FSP3	0.65
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QRAGWPYKXUZVIZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	98.88
Topological Polar Surface Area	51.8
Polarizability	37.63
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H25N3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00