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2,2-Dimethylpropanethioamide

2,2-Dimethylpropanethioamide structure

CAS No:
630-22-8
Formula:
C5H11NS
Chemical Name:
2,2-Dimethylpropanethioamide
Synonyms:
Propanethioamide,2,2-dimethyl-;Propionamide,2,2-dimethylthio-;2,2-Dimethylpropanethioamide;Thiopivalamide;2,2-Dimethylthiopropionamide;NSC 381432;Neopentanethioamide;2,2,2-Trimethylthioacetamide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2,2-Dimethylpropanethioamide Basic Attributes

Molecular Weight：

117.21

Exact Mass：

117.21

EC Number：

1592732-453-0

NSC Number：

381432

DSSTox ID：

DTXSID00388714

Characteristics

PSA：

58.1

XLogP3：

1.1

Density：

0.978±0.06 g/cm3 (20 ºC 760 Torr)

Melting Point：

117-119 °C @ Solvent: Ethyl acetate, Hexane

Boiling Point：

162.1±23.0℃ (760 Torr)

Flash Point：

51.9±22.6℃

Water Solubility：

Soluble in water (10 g/L) (25°C).

Safety Information

Precautionary statement(s)：

P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,2-Dimethylpropanethioamide Use and Manufacturing

To a round bottom flask (250 mL) was added trimethyl amine (5.0 g, 0.049 mol) and Lawesson's reagent (8.0g, 0.020 mol), dissolved in THF (100 mL), nitrogen, 80° C oil The reaction bath for 4 hours.The reaction progress monitored by TLC.After completion of the reaction, the solvent was removed by rotary evaporation, the residue was purified by silica gel column chromatography (petroleum ether: 1: ethyl acetate = 10) to give a white solid (3.7 g, 65percent yield).

Computed Properties

Molecular Weight:117.22
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:117.06122053
Monoisotopic Mass:117.06122053
Topological Polar Surface Area:58.1
Heavy Atom Count:7
Complexity:80.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Hangzhou Royalchem Co.,LTD Contact Supplier

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CAS No.: 630-22-8

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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2,2,2-Trimethylthioacetamide

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CAS No.: 630-22-8

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HENAN OWESOME PHARMECEUTICAL TECHNOLOGY Contact Supplier

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Manufactory Supplier of 5 Bromo 2 chloropyrimidine

2,2-DIMETHYLTHIOPROPIONAMIDE

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CAS No.: 630-22-8

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Guide of 2,2-Dimethylpropanethioamide

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2,2-Dimethylpropanethioamide

SDS

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