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N-[4-[[(2-Cyanoethyl)thio]methyl]-2-thiazolyl]guanidine

N-[4-[[(2-Cyanoethyl)thio]methyl]-2-thiazolyl]guanidine structure

CAS No:
76823-93-3
Formula:
C8H11N5S2
Chemical Name:
N-[4-[[(2-Cyanoethyl)thio]methyl]-2-thiazolyl]guanidine
Synonyms:
Guanidine,N-[4-[[(2-cyanoethyl)thio]methyl]-2-thiazolyl]-;Guanidine,[4-[[(2-cyanoethyl)thio]methyl]-2-thiazolyl]-;N-[4-[[(2-Cyanoethyl)thio]methyl]-2-thiazolyl]guanidine;164578-10-3
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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N-[4-[[(2-Cyanoethyl)thio]methyl]-2-thiazolyl]guanidine Basic Attributes

Molecular Weight：

241.34

Exact Mass：

241.34

EC Number：

403-710-2

DSSTox ID：

DTXSID90227643

Characteristics

Density：

1.49±0.1 g/cm3

Melting Point：

128-132 °C(lit.)

Boiling Point：

459.7±55.0 °C(Predicted)

PKA：

8.51±0.70

Safety Information

wgk germany：

hazard class code：

22-43

safety instructions：

22-24-37

Marks：

GHS Classification：

|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

N-[4-[[(2-Cyanoethyl)thio]methyl]-2-thiazolyl]guanidine Use and Manufacturing

Famotidine intermediate.

Computed Properties

Molecular Weight:241.3
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:241.04558772
Monoisotopic Mass:241.04558772
Topological Polar Surface Area:155
Heavy Atom Count:15
Complexity:268
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-(2-Guanidino-thiazol-4-yl-methylthio)-propionitrile

CAS No.: 76823-93-3

Content: 99.00%

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Guide of N-[4-[[(2-Cyanoethyl)thio]methyl]-2-thiazolyl]guanidine

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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