CAS
646504-79-2 Purity
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646504-79-2 Purity
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Shopping basket
Tpbm
CAS
6466-43-9
Catalog Number
ACM6466439
Category
Other Products
Molecular Weight
316.38
Molecular Formula
C15H16N4O2S
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Specification
Synonyms
NSC95910, MLS002703320, 6466-43-9, NSC-95910, 8-[(benzylsulfanyl)methyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione, TPBM, AC1Q6LBW, AC1L67GO, NCIStruc1_001567, NCIStruc2_001461, SureCN4226426, CTK5C1564, 8-[(Benzylthio)methyl]theophylline, NCI95910, AR-1H4220, CCG-36625, NCGC00013999, Theophylline, 8-[(benzylthio)methyl], AG-J-63381, NCGC00013999-02
IUPAC Name
8-(benzylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CSCC3=CC=CC=C3
InChI Key
FEHAMBYTUPDFJE-UHFFFAOYSA-N
Boiling Point
569.6ºC at 760mmHg
Flash Point
298.3ºC
Density
1.373g/cm³
Exact Mass
316.09900
H-Bond Acceptor
4
H-Bond Donor
1
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