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4-iodo-2-(methylsulfanyl)pyrimidine

4-iodo-2-(methylsulfanyl)pyrimidine

CAS: 1122-74-3

Formula: C5H5IN2S

SMILES: CSC1=NC(I)=CC=N1

IUPAC: 4-iodo-2-(methylsulfanyl)pyrimidine

InChI: InChI=1S/C5H5IN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3

Composition: C (23.82%), H (2.00%), I (50.34%), N (11.11%), S (12.72%)

Molar Mass: 252.07

Atom Count: 14

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 251.92181
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SECBGKYJKCNDID-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.5
Topological Polar Surface Area 25.78
Polarizability 18.8
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 1122-74-3 $17.60-$510.26$17.60$24.84$39.33$126.27$225.63$510.26
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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1122-74-3 $32.79-$287.51$32.79$47.92$158.89$287.51
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