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3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one

3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one structure

CAS No:
750606-30-5
Formula:
C9H15N3OS
Chemical Name:
3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one
Synonyms:
HMS1723A12;ZINC3269255;AKOS008909102;MCULE-9414734716;AB00714229-01;SR-01000035853;SR-01000035853-1;Z19813879;3,3-dimethyl-1-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butan-2-one;750606-30-5

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3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Basic Attributes

Molecular Weight：

213.30 g/mol

Exact Mass：

213.09358328 g/mol

Characteristics

PSA：

73.1 Å²

Computed Properties

Molecular Weight:213.30
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:213.09358328
Monoisotopic Mass:213.09358328
Topological Polar Surface Area:73.1
Heavy Atom Count:14
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one

Basic Attributes
Characteristics
Computed Properties

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