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6-Benzothiazoleaceticacid,alpha,2-diamino-(9CI)

6-Benzothiazoleaceticacid,alpha,2-diamino-(9CI) structure

CAS No:
106429-10-1
Formula:
C9H9N3O2S
Chemical Name:
6-Benzothiazoleaceticacid,alpha,2-diamino-(9CI)
Synonyms:
Amino(2-amino-1,3-benzothiazol-6-yl)acetic acid;2-amino-2-(2-aminobenzo[d]thiazol-6-yl)acetic acid;SCHEMBL8977488;2-amino-2-(2-amino-1,3-benzothiazol-6-yl)acetic acid

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6-Benzothiazoleaceticacid,alpha,2-diamino-(9CI) Basic Attributes

Molecular Weight：

223.25

Exact Mass：

223.042

Characteristics

PSA：

131

XLogP3：

-1.6

Density：

1.590±0.06 g/cm3(Predicted)

Boiling Point：

482.4±55.0 °C(Predicted)

Computed Properties

Molecular Weight:223.25
XLogP3:-1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:223.04154771
Monoisotopic Mass:223.04154771
Topological Polar Surface Area:131
Heavy Atom Count:15
Complexity:264
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-Benzothiazoleaceticacid,alpha,2-diamino-(9CI)

Basic Attributes
Characteristics
Computed Properties

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