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5-[(Phenylmethyl)thio]-1,3,4-thiadiazol-2-amine

5-[(Phenylmethyl)thio]-1,3,4-thiadiazol-2-amine structure

CAS No:
25660-71-3
Formula:
C9H9N3S2
Chemical Name:
5-[(Phenylmethyl)thio]-1,3,4-thiadiazol-2-amine
Synonyms:
1,3,4-Thiadiazol-2-amine,5-[(phenylmethyl)thio]-;1,3,4-Thiadiazole,2-amino-5-(benzylthio)-;5-[(Phenylmethyl)thio]-1,3,4-thiadiazol-2-amine;2-Amino-5-benzylthio-1,3,4-thiadiazole;2-Amino-5-benzylthio-1,2,4-thiadiazol;2-Amino-5-benzylmercapto-1,3,4-thiadiazole;NSC 204491;5-Benzylsulfanyl-2-amino-1,3,4-thiadiazole;5-Amino-2-(benzylthio)-1,3,4-thiadiazole

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5-[(Phenylmethyl)thio]-1,3,4-thiadiazol-2-amine Basic Attributes

Molecular Weight：

223.32

Exact Mass：

223.32

NSC Number：

204491

DSSTox ID：

DTXSID90180365

HScode：

2934999090

Characteristics

PSA：

105

XLogP3：

2.65

Density：

1.4±0.1 g/cm3

Melting Point：

158 °C @ Solvent: Ethanol

Boiling Point：

416.2±38.0 °C at 760 mmHg

Flash Point：

205.5±26.8 °C

Refractive Index：

1.694

Vapor Pressure：

3.89E-07mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/37/38

safety instructions：

36/37/39

RTECS Number：

XI2898500

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:223.3
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:223.02378965
Monoisotopic Mass:223.02378965
Topological Polar Surface Area:105
Heavy Atom Count:14
Complexity:173
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[(Phenylmethyl)thio]-1,3,4-thiadiazol-2-amine

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-[(Phenylmethyl)thio]-1,3,4-thiadiazol-2-amine

SDS

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