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Home > Bromides > 1198475-40-9
1198475-40-9 | Thieno[2,3-d]pyrimidin-4(1H)-one, 6-bromo-2-(methylthio)-
CAS No: 1198475-40-9 Catalog No: AG000PRP MDL No:MFCD12407813
Product Description
Catalog Number:
AG000PRP
Chemical Name:
Thieno[2,3-d]pyrimidin-4(1H)-one, 6-bromo-2-(methylthio)-
CAS Number:
1198475-40-9
Molecular Formula:
C7H5BrN2OS2
Molecular Weight:
277.1614
MDL Number:
MFCD12407813
IUPAC Name:
6-bromo-2-methylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C7H5BrN2OS2/c1-12-7-9-5(11)3-2-4(8)13-6(3)10-7/h2H,1H3,(H,9,10,11)
InChI Key:
IOHONOJVTPAGLZ-UHFFFAOYSA-N
SMILES:
CSc1nc(=O)c2c([nH]1)sc(c2)Br
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.903g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.154g/mol
Monoisotopic Mass:
275.903g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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