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ethyl 2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetate

ethyl 2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetate

CAS: 937601-32-6

Formula: C9H10N4O2S

SMILES: CCOC(=O)CSC1=NC=C(C#N)C(N)=N1

IUPAC: ethyl 2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetate

InChI: InChI=1S/C9H10N4O2S/c1-2-15-7(14)5-16-9-12-4-6(3-10)8(11)13-9/h4H,2,5H2,1H3,(H2,11,12,13)

Composition: C (45.37%), H (4.23%), N (23.51%), O (13.43%), S (13.46%)

Molar Mass: 238.27

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 238.052446752
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey YSLQQNBRVLBLCM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.91
Topological Polar Surface Area 101.89
Polarizability 22.8
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 937601-32-6 $65.00$65.00
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