1-Dodecanethiol 98% Extrapure

CAT: 1278-01090 00500Size: 500 mLDry Ice: NoHazardous: No

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CAT#:1278-01090 00500Size:500 mL

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CAS Number

112-55-0

HS Code

29309070

Packaging Group

Chemical Information

1-Dodecanethiol

Lauryl mercaptan is an oily colorless liquid with a mild skunk odor. Freezing point 19 °F. (USCG, 1999)

CAS Number	112-55-0
PubChem CID	8195
IUPAC Name	dodecane-1-thiol
Molecular Formula	C12H26S
Molecular Weight	202.40
XLogP	6.1
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	10
Heavy Atom Count	13
Formal Charge	0
Complexity	81

SMILES

CCCCCCCCCCCCS

InChI

InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3

InChIKey

WNAHIZMDSQCWRP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112-55-0

CID: 8195

Formula: C12H26S

MW: 202.40

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.40
XLogP3	6.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	10
Exact Mass	202.17552200
Monoisotopic Mass	202.17552200
Topological Polar Surface Area	1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	81.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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