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3-THIOPHENECARBOXAMIDE98

3-THIOPHENECARBOXAMIDE98 structure

CAS No:
51460-47-0
Formula:
C5H5NOS
Chemical Name:
3-THIOPHENECARBOXAMIDE98
Synonyms:
Thiophene-3-carboxylic acid amide;3-Thenamide;3-Thiophenecarboxamide 98%;3-THIOPHENECARBOXAMIDE98;THIOPHENE -3-CARBOXAMIDE
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-THIOPHENECARBOXAMIDE98 Basic Attributes

Molecular Weight：

127.1643

Exact Mass：

127.00900

DSSTox ID：

DTXSID70458610

HScode：

2934999090

Characteristics

PSA：

71.33000

XLogP3：

1.54730

Density：

1.302g/cm3

Melting Point：

181-184 °C(lit.)

Boiling Point：

313.5ºC at 760 mmHg

Flash Point：

143.4ºC

Refractive Index：

1.603

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:127.17
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:127.00918496
Monoisotopic Mass:127.00918496
Topological Polar Surface Area:71.3
Heavy Atom Count:8
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes