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N-(Prop-2-yn-1-yl)methanesulfonamide

HCID 14025440
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
93501-84-9
Standard SMILES
C#CCNS(C)(=O)=O
InChIKey
ARSQCIRDYSOFEN-UHFFFAOYSA-N
Molecular formula
C4H7NO2S
Average molar mass
133.17 g/mol
Monoisotopic mass
133.01974946

Names & identifiers

Preferred name
N-(Prop-2-yn-1-yl)methanesulfonamide
IUPAC
N-prop-2-ynylmethanesulfonamide
English name
N-(prop-2-ynyl)-MethanesulfonaMide
Molecular formula
C4H7NO2S
Molecular weight
133.17

Names & synonyms

N-(prop-2-yn-1-yl)methanesulfonamide93501-84-9DTXSID40554517RefChem:362877DTXCID20505300838-871-1N-(Prop-2-ynyl)-methanesulfonamiden-prop-2-ynylmethanesulfonamideN-2-Propyn-1-yl-methanesulfonamideSCHEMBL1445474SCHEMBL37603851-methanesulfonylamino-2-propyne
Show more names
Methanesulfonamide, N-2-propyn-1-yl-
N-prop-2-ynyl-methanesulfonamideARSQCIRDYSOFEN-UHFFFAOYSA-NN-(prop-2-ynyl)methane sulfonamideN-prop-2-yn-1-ylmethanesulfonamideTDA50184MFCD14631470AKOS009053965DB-320546

Database identifiers

CAS
93501-84-9
PubChem CID
14025440
DTXSID
DTXSID40554517
EC Number
838-871-1

Properties

Computed structural properties

XLogP
-0.6
Topological polar surface area
54.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
8
Formal charge
0
Complexity
190

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H335-H315-H319
Precautionary statements
264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H335-H315-H319
Precautionary statements
P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Suppliers2 total

常州市宣明医药科技有限公司+86-519-85525359 +86-15995072465 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]

Related reactions

28 records
New reaction record
HRID 100918 reaction equation
HRID 100918As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 200499 reaction equation
HRID 200499As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 300989 reaction equation
HRID 300989As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 366761 reaction equation
HRID 366761As reactantuspto-grants-2000_10
HRID 380922 reaction equation
HRID 380922As reactantuspto-grants-2001_10
HRID 480280 reaction equation
HRID 480280As reactantuspto-grants-2003_11
HRID 525580 reaction equation
HRID 525580As reactantuspto-grants-2016_05
HRID 600186 reaction equation
HRID 600186As reactantuspto-grants-2011_03
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Compound notes

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