1-Heptanethiol


Chemical Name: 1-Heptanethiol
CAS Number: 1639-09-4
Product Number: AG001UJ2(AGN-PC-0JKCAD)
Synonyms:
MDL No:
Molecular Formula: C7H16S
Molecular Weight: 132.2669

Identification/Properties


Properties
MP:
-43°C
BP:
176.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Stability:
Air Sensitive
Refractive Index:
n20/D 1.4505(lit.)
Solubility:
0.009g/l
Computed Properties
Molecular Weight:
132.265g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
5
Exact Mass:
132.097g/mol
Monoisotopic Mass:
132.097g/mol
Topological Polar Surface Area:
1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
35.4
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

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3336
Hazard Statements:
H226-H315-H319-H335
Precautionary Statements:
P210-P233-P240-P241+P242+P243-P261-P264-P271-P280-P302+P352+P332+P313+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P370+P378-P403+P233-P405-P501
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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