Text Search
Structure Search

methyl 4,6-dichloro-2-(methylsulfanyl)pyrimidine-5-carboxylate

methyl 4,6-dichloro-2-(methylsulfanyl)pyrimidine-5-carboxylate

CAS: 883870-28-8

Formula: C7H6Cl2N2O2S

SMILES: COC(=O)C1=C(Cl)N=C(SC)N=C1Cl

IUPAC: methyl 4,6-dichloro-2-(methylsulfanyl)pyrimidine-5-carboxylate

InChI: InChI=1S/C7H6Cl2N2O2S/c1-13-6(12)3-4(8)10-7(14-2)11-5(3)9/h1-2H3

Composition: C (33.22%), H (2.39%), Cl (28.01%), N (11.07%), O (12.64%), S (12.67%)

Molar Mass: 253.1

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 251.952704
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XURMLXHLZQXOFN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.18
Topological Polar Surface Area 52.08
Polarizability 22
Ring Count 1
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 883870-28-8 Quote Only
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 883870-28-8 $60.53-$266.07$60.53$105.92$266.07
Request Quote