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Structure

6-N-Heptylmercaptopurine

CAS
83277-80-9
Catalog Number
ACM83277809
Category
Other Products
Molecular Weight
250.36
Molecular Formula
C12H18N4S

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Specification

Synonyms
6-n-Heptylmercaptopurine, Purine, 6-(heptylthio)-, 6-(Heptylthio)-1H-purine, H4000_SIGMA, 1H-Purine, 6-(heptylthio)-, EINECS 280-364-7, MolPort-001-822-498, MolPort-003-824-464, MolPort-004-964-535, CID95192, NSC22778, 83277-80-9
IUPAC Name
6-heptylsulfanyl-7H-purine
Canonical SMILES
CCCCCCCSC1=NC=NC2=C1NC=N2
InChI Key
AJMDBPAFRPBUDE-UHFFFAOYSA-N
Boiling Point
369.9ºC at 760 mmHg
Flash Point
177.5ºC
Density
1.24g/cm³
Appearance
crystalline
EC Number
280-364-7
Exact Mass
250.12500
H-Bond Acceptor
3
H-Bond Donor
1
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