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BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE

BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE structure

CAS No:
184951-87-9
Formula:
C20H21N5O4S
Chemical Name:
BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE
Synonyms:
BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE;BOC-L-2-AMINO-3-PHENYLPROPANETHIOIC ACID-1-(6-NITRO)BENZOTRIAZOLIDE;(S)-2-(BOC-AMINO)-3-PHENYL-PROPANETHIOIC O-ACID-1-(6-NITRO)BENZOTRIAZOLIDE;(S)-2-(BOC-AMINO)-PRPPNETHIOIC O-ACID-1-(6-NITRO)BENZOTRIAZOLIDE;N-ALPHA-T-BUTOXYCARBONYL-L-2-AMINO-3-PHENYLPROPANETHIOIC ACID-1-(6-NITRO) BENZOTRIAZOLIDE;(S)-2-(Boc-amino)-3-phenyl propanethioic O-acid-1-;[(1S)-2-(6-Nitro-1H-benzotriazol-1-yl)-1-(phenylmethyl)-2-thioxoethyl]carbamic acid tert-butyl ester

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BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE Basic Attributes

Molecular Weight：

427.48

Exact Mass：

427.13100

DSSTox ID：

DTXSID10444572

Characteristics

PSA：

147

XLogP3：

4.56510

Density：

1.36

Storage Conditions：

-15°C

Computed Properties

Molecular Weight:427.5
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:427.13142534
Monoisotopic Mass:427.13142534
Topological Polar Surface Area:147
Heavy Atom Count:30
Complexity:644
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE

Basic Attributes
Characteristics
Computed Properties

BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE

SDS

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