Tert-Hexadecyl Mercaptan

CAT: 0024-sc-487182Size: 25 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-487182Size:25 mL

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CAS Number

25360-09-2

Chemical Information

tert-Hexadecanethiol

13,13-dimethyltetradecane-1-thiol has been reported in Streptomyces with data available.

CAS Number	25360-09-2
PubChem CID	117452
IUPAC Name	13,13-dimethyltetradecane-1-thiol
Molecular Formula	C16H34S
Molecular Weight	258.5
XLogP	7.8
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	12
Heavy Atom Count	17
Formal Charge	0
Complexity	146

SMILES

CC(C)(C)CCCCCCCCCCCCS

InChI

InChI=1S/C16H34S/c1-16(2,3)14-12-10-8-6-4-5-7-9-11-13-15-17/h17H,4-15H2,1-3H3

InChIKey

KZIYAWAYDPPPIU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25360-09-2

CID: 117452

Formula: C16H34S

MW: 258.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.5
XLogP3	7.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	12
Exact Mass	258.23812226
Monoisotopic Mass	258.23812226
Topological Polar Surface Area	1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	146
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

Catalog	Name
sc-232996	4-tert-Butylbenzyl mercaptan
sc-485627	Tert-Nonyl mercaptan, mixture of isomers
sc-353053A	Benzyl mercaptan
sc-215144	Hexadecyl Methanethiosulfonate
sc-488379	Hexadecyl Acrylate
sc-353053	Benzyl mercaptan
sc-218072	Dansylamidoethyl Mercaptan
sc-215144A	Hexadecyl Methanethiosulfonate
sc-215144B	Hexadecyl Methanethiosulfonate
sc-215144C	Hexadecyl Methanethiosulfonate

Catalog	Name
ABA36009	Tert-Hexadecyl Mercaptan
H03300	Tert-Hexadecyl mercaptan Tech. Grade
TRC-O141595-500MG	tert-Octyl Mercaptan
TRC-H181250-500MG	tert-Heptyl Mercaptan
080225-01	Tert- Dodecyl Mercaptan
OR1079027-01	Tert-Nonyl Mercaptan (mixture)
D56580-01	Tert-Dodecyl mercaptan 97%
O02050-01	Tert-Octyl mercaptan 96%
N14070	Tert-Nonyl Mercaptan 97%
TRC-D172900-50MG	Dansylamidoethyl Mercaptan