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5-Methylthiophene-2-sulfonamide

HCID 600930
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
53595-69-0
Standard SMILES
Cc1ccc(S(N)(=O)=O)s1
InChIKey
QIFRWYJBGDRVKY-UHFFFAOYSA-N
Molecular formula
C5H7NO2S2
Average molar mass
177.2 g/mol
Monoisotopic mass
176.99182081

Names & identifiers

Preferred name
5-Methylthiophene-2-sulfonamide
IUPAC
5-methylthiophene-2-sulfonamide
English name
2-Thiophenesulfonamide,5-methyl-(7CI,9CI)
Molecular formula
C5H7NO2S2
Molecular weight
177.24

Names & synonyms

5-Methylthiophene-2-sulfonamide53595-69-02-Thiophenesulfonamide,5-methyl-(7CI,9CI)MFCD084446125-Methylthiophene-2-sulphonamide5-Methyl-2-thiophenesulfonamideSCHEMBL2012357SCHEMBL10402003SCHEMBL11169231DTXSID503449865-Methyl-2-thiophenesulfonamide #DCA59569
Show more names
2-Thiophenesulfonamide, 5-methyl-
AKOS000118039AS-8885SY169952DB-071718CS-0453370EN300-26184Z65532649F2158-2258

Database identifiers

CAS
53595-69-0
PubChem CID
600930
DTXSID
DTXSID50344986
EC Number
127-352-9
Nikkaji
J1.398.558H

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
96.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
206

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P280-P312
HS Code
2934999090 · 2934999090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
2934999090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P312

Chemistry & industry

Suppliers2 total

上海景容化学科技有限公司021-60546673 13701861782 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]

Related reactions

3 records
New reaction record
HRID 1127559 reaction equation
HRID 1127559As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1464125 reaction equation
HRID 1464125As productuspto-grants-1994_04
HRID 2348220 reaction equation
HRID 2348220As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes