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Naphthalen-1-ylmethanethiol

CAT: 0572-TRC-N756848-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N756848-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5254-86-4
Hazard Statement
No Data Available
Smiles
SCc1cccc2ccccc12
Molecular Formula
C11 H10 S
Molecular Weight
174.262
InChI
InChI=1S/C11H10S/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2
Additionnal Information
IUPAC name: naphthalen-1-ylmethanethiol
Shipping Conditions
Room Temperature

Chemical Information

1-Naphthalenemethanethiol
CAS Number5254-86-4
PubChem CID136847
IUPAC Namenaphthalen-1-ylmethanethiol
Molecular FormulaC11H10S
Molecular Weight174.26
XLogP3.4
Topological Polar Surface Area1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity144
SMILES
C1=CC=C2C(=C1)C=CC=C2CS
InChI
InChI=1S/C11H10S/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2
InChIKey
XMFGKICZZHDQGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Naphthalenemethanethiol
CAS: 5254-86-4
CID: 136847
Formula: C11H10S
MW: 174.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.26
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass174.05032149
Monoisotopic Mass174.05032149
Topological Polar Surface Area1 Ų
Heavy Atom Count12
Formal Charge0
Complexity144
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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