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2-(1,1-Dioxo-tetrahydro-1lambda6-thiophen-3-yl-amino)-ethanol

2-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl-amino)-ethanol structure

CAS No:
58903-81-4
Formula:
C6H13NO3S
Chemical Name:
2-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl-amino)-ethanol
Synonyms:
2-[(1,1-dioxothiolan-3-yl)amino]ethanol;

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2-(1,1-Dioxo-tetrahydro-1lambda6-thiophen-3-yl-amino)-ethanol Basic Attributes

Molecular Weight：

179.23700

Exact Mass：

179.06161445 g/mol

DSSTox ID：

DTXSID90329712

Characteristics

PSA：

74.78000

XLogP3：

0.22710

Density：

1.32g/cm3

Boiling Point：

454.1ºC at 760 mmHg

Flash Point：

228.5ºC

Refractive Index：

1.529

Safety Information

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:179.24
XLogP3:-1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:179.06161445
Monoisotopic Mass:179.06161445
Topological Polar Surface Area:74.8
Heavy Atom Count:11
Complexity:206
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl-amino)-ethanol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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