4-(Methylthio)phenyl isothiocyanate - CAS 15863-41-9
Catalog: |
BB011453 |
Product Name: |
4-(Methylthio)phenyl isothiocyanate |
CAS: |
15863-41-9 |
Synonyms: |
1-isothiocyanato-4-methylsulfanylbenzene |
IUPAC Name: | 1-isothiocyanato-4-methylsulfanylbenzene |
Description: | 4-(Methylthio)phenyl isothiocyanate (CAS# 15863-41-9) is a useful research chemical. |
Molecular Weight: | 181.28 |
Molecular Formula: | C8H7NS2 |
Canonical SMILES: | CSC1=CC=C(C=C1)N=C=S |
InChI: | InChI=1S/C8H7NS2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3 |
InChI Key: | CEBAJHCAFXYWNT-UHFFFAOYSA-N |
Boiling Point: | 127-128 °C / 1 mmHg (lit.) |
Density: | 1.13 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00041368 |
LogP: | 3.14280 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113262218-A | Application of isothiocyanate compounds | 20200214 |
CN-113181160-A | Application of isothiocyanate compounds | 20200114 |
CN-111170895-A | 2-hydroxyguanidine compound and preparation method thereof | 20200109 |
CN-109414424-A | The application of isosulfocyanate compound | 20160422 |
EP-3446689-A1 | Use of isothiocyanate compounds | 20160422 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.00199157 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.00199157 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Sulfur Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS