Benzenethiol, 3-methoxy-


Chemical Name: Benzenethiol, 3-methoxy-
CAS Number: 15570-12-4
Product Number: AG001O4Y(AGN-PC-0JLVF6)
Synonyms:
MDL No: MFCD00004841
Molecular Formula: C7H8OS
Molecular Weight: 140.2028

Identification/Properties


Properties
BP:
223.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Stability:
Stench
Refractive Index:
n20/D 1.587(lit.)
Computed Properties
Molecular Weight:
140.2g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
140.03g/mol
Monoisotopic Mass:
140.03g/mol
Topological Polar Surface Area:
10.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
85
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#:
2810
Hazard Statements:
H301+H311+H331-H315-H319
Precautionary Statements:
P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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