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3,4-dihydro-1H-isothiochromen-4-ol

3,4-dihydro-1H-isothiochromen-4-ol structure

CAS No:
109819-33-2
Formula:
C9H10OS
Chemical Name:
3,4-dihydro-1H-isothiochromen-4-ol
Synonyms:
3,4-dihydro-1H-2-benzothiopyran-4-ol;109819-33-2;3,4-dihydro-1H-isothiochromen-4-ol;Isothiochroman-4-ol;NSC261560;ACMC-20mclr;1H-2-Benzothiopyran-4-ol, 3,4-dihydro-;SCHEMBL2817604;CHEMBL4580804;DTXSID40312770;AKOS009940931;NE28576;NSC-261560;EN300-60980

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3,4-dihydro-1H-isothiochromen-4-ol Basic Attributes

Molecular Weight：

166.24 g/mol

Exact Mass：

166.04523611 g/mol

NSC Number：

261560

DSSTox ID：

DTXSID40312770

Characteristics

PSA：

45.5 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:166.24
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:166.04523611
Monoisotopic Mass:166.04523611
Topological Polar Surface Area:45.5
Heavy Atom Count:11
Complexity:138
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-dihydro-1H-isothiochromen-4-ol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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