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sec-Butyl Mercaptan

CAT: 0572-TRC-B692690-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-B692690-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
513-53-1
Synonyms
(±)-2-Butanethiol; 1-Methyl-1-propanethiol; 2-Butyl mercaptan; 2-Butylthiol; 2-Mercaptobutane; 3-Methyl-2-propanethiol; NSC 78417; s-Butyl mercaptan; sec-Butanethiol; sec-Butyl thioalcohol; sec-Butylthiol; 2-Butanethiol
Hazard Statement
Highly flammable liquid and vapour; UN number: UN2347; Packing Group: II
Smiles
CCC(C)S
Molecular Formula
C4H10S
Molecular Weight
90.19
InChI
InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3
Additionnal Information
IUPAC name: butane-2-thiol
Shipping Conditions
Room Temperature

Chemical Information

2-Butanethiol
CAS Number513-53-1
PubChem CID10560
IUPAC Namebutane-2-thiol
Molecular FormulaC4H10S
Molecular Weight90.19
XLogP1.8
Topological Polar Surface Area1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity19
SMILES
CCC(C)S
InChI
InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChIKey
LOCHFZBWPCLPAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Butanethiol
CAS: 513-53-1
CID: 10560
Formula: C4H10S
MW: 90.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight90.19
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass90.05032149
Monoisotopic Mass90.05032149
Topological Polar Surface Area1 Ų
Heavy Atom Count5
Formal Charge0
Complexity19.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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