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2-THIOXOTETRAHYDRO-1,3-OXAZOLE

2-THIOXOTETRAHYDRO-1,3-OXAZOLE structure

CAS No:
5840-81-3
Formula:
C3H5NOS
Chemical Name:
2-THIOXOTETRAHYDRO-1,3-OXAZOLE
Synonyms:
2-Oxazolinethione;2-Thiooxazolidone;2-Oxazolidinethione;Oxazolidine-2-thione;2-Mercapto-2-oxazoline;1,3-OXAZOLANE-2-THIONE;1,3-OXAZOLIDINE-2-THIONE;2-Thioxo-1,3-oxazolidine;2-THIOXOTETRAHYDRO-1,3-OXAZOLE;2-THIOOXOTETRAHYDRO-1,3-OXAZOLE
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to slightly beige crystalline powder

2-THIOXOTETRAHYDRO-1,3-OXAZOLE Basic Attributes

Molecular Weight：

103.14300

Exact Mass：

103.00900

UNII：

6SMJ3CUW4C

NSC Number：

209913|15071

HScode：

29349990

Characteristics

PSA：

53.35000

XLogP3：

0.21990

Density：

1.31 g/cm3

Melting Point：

97-99ºC

Boiling Point：

120.7ºC at 760 mmHg

Flash Point：

26.8ºC

Safety Information

safety instructions：

S24/25

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.

Drug Information

MeSH Entry Terms：

(2-hydroxyethyl)thiocarbamic acid, gamma-lactone

Computed Properties

Molecular Weight:103.15
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:103.00918496
Monoisotopic Mass:103.00918496
Topological Polar Surface Area:53.4
Heavy Atom Count:6
Complexity:73.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-THIOXOTETRAHYDRO-1,3-OXAZOLE

CAS No.: 5840-81-3

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Guide of 2-THIOXOTETRAHYDRO-1,3-OXAZOLE

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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