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2,5-Dimethoxythiophenol

CAT: 0572-TRC-D470895-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D470895-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1483-27-8
Synonyms
2,5-Dimethoxybenzenethiol;
Hazard Statement
Causes skin irritation.
Smiles
COc1ccc(OC)c(S)c1
Molecular Formula
C8H10O2S
Molecular Weight
170.23
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,5-Dimethoxythiophenol
CAS Number1483-27-8
PubChem CID519009
IUPAC Name2,5-dimethoxybenzenethiol
Molecular FormulaC8H10O2S
Molecular Weight170.23
XLogP2.2
Topological Polar Surface Area19.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity119
SMILES
COC1=CC(=C(C=C1)OC)S
InChI
InChI=1S/C8H10O2S/c1-9-6-3-4-7(10-2)8(11)5-6/h3-5,11H,1-2H3
InChIKey
SESUUAOAUZDHHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dimethoxythiophenol
CAS: 1483-27-8
CID: 519009
Formula: C8H10O2S
MW: 170.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.23
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass170.04015073
Monoisotopic Mass170.04015073
Topological Polar Surface Area19.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity119
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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