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1-[(1-Allyl-1H-tetrazol-5-yl)sulfanyl]-3-phenoxy-2-propanol

1-[(1-Allyl-1H-tetrazol-5-yl)sulfanyl]-3-phenoxy-2-propanol structure

CAS No:
133506-58-8
Formula:
C13H16N4O2S
Chemical Name:
1-[(1-Allyl-1H-tetrazol-5-yl)sulfanyl]-3-phenoxy-2-propanol

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1-[(1-Allyl-1H-tetrazol-5-yl)sulfanyl]-3-phenoxy-2-propanol Basic Attributes

Molecular Weight：

292.35700

Exact Mass：

292.09939694

Characteristics

PSA：

98.36000

XLogP3：

1.39110

Density：

1.28g/cm3

Boiling Point：

506.9ºC

Flash Point：

260.3ºC

Refractive Index：

1.625

Vapor Pressure：

4.27E-11mmHg at 25°C

Safety Information

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:292.36
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:292.09939694
Monoisotopic Mass:292.09939694
Topological Polar Surface Area:98.4
Heavy Atom Count:20
Complexity:290
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[(1-Allyl-1H-tetrazol-5-yl)sulfanyl]-3-phenoxy-2-propanol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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