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Thiochromanone

Thiochromanone structure

CAS No:
3528-17-4
Formula:
C9H8OS
Chemical Name:
Thiochromanone
Synonyms:
4H-1-Benzothiopyran-4-one,2,3-dihydro-;Thiochroman-4-one;2,3-Dihydro-4H-1-benzothiopyran-4-one;1-Thiochroman-4-one;Thiochromanone;Thiachroman-4-one;2,3-Dihydro-4-benzothiopyranone;2,3-Dihydro-4H-thiochromen-4-one;NSC 113603;NSC 153096;NSC 64353;2,3-Dihydrothiochromen-4-one;3,4-Dihydro-2H-1-benzothiopyran-4-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Orange low melting solid

Thiochromanone Basic Attributes

Molecular Weight：

164.222

Exact Mass：

164.22

EC Number：

222-548-1

NSC Number：

153096|113603|64353

DSSTox ID：

DTXSID10188762

HScode：

2932999099

Characteristics

PSA：

42.4

XLogP3：

2.36510

Density：

1.2487 g/cm³ @ Temp: 13.7 °C

Melting Point：

29 °C

Boiling Point：

154 °C @ Press: 12 Torr

Flash Point：

154.9ºC

Refractive Index：

n20/D 1.6395(lit.)

Safety Information

Transport codes：

UN 3335

wgk germany：

safety instructions：

S24/25

Computed Properties

Molecular Weight:164.23
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Exact Mass:164.02958605
Monoisotopic Mass:164.02958605
Topological Polar Surface Area:42.4
Heavy Atom Count:11
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes