 Home > Encyclopedia > 8-(3,3-dimethylbutylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione

8-(3,3-dimethylbutylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione

8-(3,3-dimethylbutylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione structure

CAS No:
74039-73-9
Formula:
C13H20N4O2S
Chemical Name:
8-(3,3-dimethylbutylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione
Synonyms:
Theophylline, S-((3,3-dimethylbutyl)thio)-;UNII-RK3ED3QFQ3;RK3ED3QFQ3;S-((3,3-Dimethylbutyl)thio)theophylline;74039-73-9;S-[(3,3-Dimethylbutyl)thio]theophylline;NSC 81473;NSC81473;DTXSID30224939;Theophylline,3-dimethylbutyl)thio]-;NSC-81473;WLN: T56 BM DN FNVNVJ CS2X1&1&1 F1 H1;1H-Purine-2, 8-[(3,3-dimethylbutyl)thio]-3,7-dihydro-1,3-dimethyl-;1H-Purine-2,6-dione, 8-((3,3-dimethylbutyl)thio)-3,7-dihydro-1,3-dimethyl- (9CI)

Request for Quotation

8-(3,3-dimethylbutylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione Basic Attributes

Molecular Weight：

296.39 g/mol

Exact Mass：

296.13069707 g/mol

UNII：

RK3ED3QFQ3

NSC Number：

81473

DSSTox ID：

DTXSID30224939

Characteristics

PSA：

94.6 Å²

Computed Properties

Molecular Weight:296.39
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:296.13069707
Monoisotopic Mass:296.13069707
Topological Polar Surface Area:94.6
Heavy Atom Count:20
Complexity:410
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: cobalt sulfide; benztropine brand name; clotrimazole pills; li2co3; cephalin; calcium nitride

Guide of 8-(3,3-dimethylbutylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

Request for Quotation



Feedback & Suggestions

Send Message

Thank you for your feedback. If you require further assistance, please contact us by email at info@echemi.com or call us at +86-532-55729510.