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8-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2H-1-benzothiopyran-4-ol

8-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2H-1-benzothiopyran-4-ol structure

CAS No:
111897-93-9
Formula:
C16H25NO3S
Chemical Name:
8-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2H-1-benzothiopyran-4-ol
Synonyms:
2H-1-Benzothiopyran-4-ol,8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-;8-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2H-1-benzothiopyran-4-ol;S 10950

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8-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2H-1-benzothiopyran-4-ol Basic Attributes

Molecular Weight：

311.4 g/mol

Exact Mass：

311.44

UNII：

RKM76FBC3F

Characteristics

PSA：

87 Å²

Drug Information

MeSH Entry Terms：

1-tert-butylamino-3-(4-hydroxythio chroman-8-yloxy)-2-propanol

Computed Properties

Molecular Weight:311.4
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:311.15551483
Monoisotopic Mass:311.15551483
Topological Polar Surface Area:87
Heavy Atom Count:21
Complexity:321
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2H-1-benzothiopyran-4-ol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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