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2-{[4-allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide

2-{[4-allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide structure

CAS No:
377065-38-8
Formula:
C18H18N4OS2
Chemical Name:
2-{[4-allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Synonyms:
2-{[4-allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide;Salor-int l414026-1ea;ZINC985892;STK038465;AKOS002188255;MCULE-7542312312;N-(4-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide;EU-0076008;ST50081470;AJ-292/40706394

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2-{[4-allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide Basic Attributes

Molecular Weight：

370.499

Exact Mass：

370.092

Characteristics

PSA：

113

XLogP3：

3.7

Safety Information

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:370.5
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:370.09220356
Monoisotopic Mass:370.09220356
Topological Polar Surface Area:113
Heavy Atom Count:25
Complexity:456
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-{[4-allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-{[4-allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide

SDS

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