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2-Mercaptothiazoline

2-Mercaptothiazoline structure

CAS No:
96-53-7
Formula:
C3H5NS2
Chemical Name:
2-Mercaptothiazoline
Synonyms:
2-MERCAPTOTHIAZOLINE 98%;2-Thiothiazoline;2-Mercaptothiazoline~94%;2-Mercaptothiazoline ,98%;H4MT;Medical interMediates;2-thiazolinethiol;2-MERCAPTOTHIAZOLIDINE
Categories:
Inorganic Chemistry > Elementary Substance

Description

white to beige fine crystalline powder

Purify the thiol by dissolution in aqueous alkali, precipitation by addition of HCl and then recrystallisation from H2O (as needles). [IR: Flett J Chem Soc 347 1953 and Mecke et al. Chem Ber 90 975, Gabriel & Stelzner Chem Ber 28 2931 1895, Beilstein 27 III/IV 2540.]

2-Mercaptothiazoline Basic Attributes

Molecular Weight：

119.21

Exact Mass：

119.21

BRN：

106332

EC Number：

202-512-1

UNII：

UPA7Y8938Q

NSC Number：

680

TSCA：

TSCA listed

DSSTox ID：

DTXSID3059133

Color/Form：

White to beige

HScode：

29341000

Characteristics

PSA：

69.4

XLogP3：

0.9

Appearance：

fine crystalline powder

Density：

1.235 (estimate)

Melting Point：

100-105 °C(lit.)

Boiling Point：

176-178 °C(Press: 0.25 Torr)

Flash Point：

69.0±22.6 °C

Refractive Index：

1.4826 (estimate)

Water Solubility：

SOLUBLE IN HOT WATER

Storage Conditions：

Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Hormones and antibiotics room.

Toxicity：

LD50 orally in Rabbit: 300 mg/kg

PH：

6-7 (10g/l, H2O, 20℃)

PKA：

13.01±0.20(Predicted)

Critical Temperature & Pressure：

Store below +30°C.

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2811

wgk germany：

hazard class code：

safety instructions：

24/25

RTECS Number：

XJ6122000

Marks：

Xn:Harmful;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P270, P301+P310, P321, P330, P405, P501

Hazard Statements：

RIDADR：

UN 2811 6.1/PG 3

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 62 companies from 4 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2-mercaptothiazoline

2-Mercaptothiazoline Use and Manufacturing

Uses

medicament.;medical agent; brightening agent 2-Mercaptothiazoline is an antithyroid agent that strongly reduces thyroid hormone levels. 2-Mercaptothiazoline is also used as an intermediate in the preparation of pesticides and other biologically active compounds.

medicament.;medical agent; brightening agent

Manufacturing Info：

2-Thiazolidinethione: ACTIVE

Computed Properties

Molecular Weight:119.21
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:118.98634151
Monoisotopic Mass:118.98634151
Topological Polar Surface Area:69.4
Heavy Atom Count:6
Complexity:71.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Mercaptothiazoline

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Learn More Other Chemicals

2-Mercaptothiazoline

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