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2-Nitrothiophene (Technical Grade)

CAT: 0572-TRC-N565515-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N565515-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
609-40-5
Synonyms
alpha-Nitrothiophene
Hazard Statement
No Data Available
Smiles
[O-][N+](=O)c1cccs1
Molecular Formula
C4H3NO2S
Molecular Weight
129.14
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Thiophene, 2-nitro-
CAS Number609-40-5
PubChem CID11866
IUPAC Name2-nitrothiophene
Molecular FormulaC4H3NO2S
Molecular Weight129.14
XLogP1.6
Topological Polar Surface Area74.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity101
SMILES
C1=CSC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3H
InChIKey
JIZRGGUCOQKGQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiophene, 2-nitro-
CAS: 609-40-5
CID: 11866
Formula: C4H3NO2S
MW: 129.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.14
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass128.98844951
Monoisotopic Mass128.98844951
Topological Polar Surface Area74.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity101
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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