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CHEMBRDG-BB 4016588

CHEMBRDG-BB 4016588 structure

CAS No:
915923-05-6
Formula:
C7H11NOS
Chemical Name:
CHEMBRDG-BB 4016588
Synonyms:
CHEMBRDG-BB 4016588;2-(3,5-dimethylisoxazol-4-yl)ethanethiol;Albb-006735;2-(3,5-Dimethyl-4-isoxazolyl)ethanethiol;2-(3,5-dimethylisoxazol-4-yl)ethanethiol(SALTDATA: FREE)
Categories:
Chemical Reagents > Organic Reagents

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CHEMBRDG-BB 4016588 Basic Attributes

Molecular Weight：

157.23

Exact Mass：

157.05600

DSSTox ID：

DTXSID00649276

HScode：

2934999090

Characteristics

PSA：

64.83000

XLogP3：

1.76370

Density：

1.085g/cm3

Boiling Point：

269.2ºC at 760 mmHg

Flash Point：

116.6ºC

Refractive Index：

1.515

Safety Information

Hazard category：

IRRITANT

hazard class code：

safety instructions：

Marks：

Computed Properties

Molecular Weight:157.24
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:157.05613515
Monoisotopic Mass:157.05613515
Topological Polar Surface Area:27
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes