4-(Methylthio)benzyl chloride - CAS 874-87-3
Catalog: |
BB038496 |
Product Name: |
4-(Methylthio)benzyl chloride |
CAS: |
874-87-3 |
Synonyms: |
1-(chloromethyl)-4-methylsulfanylbenzene |
IUPAC Name: | 1-(chloromethyl)-4-methylsulfanylbenzene |
Description: | 4-(Methylthio)benzyl chloride (CAS# 874-87-3) is a useful research chemical. |
Molecular Weight: | 172.68 |
Molecular Formula: | C8H9ClS |
Canonical SMILES: | CSC1=CC=C(C=C1)CCl |
InChI: | InChI=1S/C8H9ClS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3 |
InChI Key: | VWVZFHRDLPHBEG-UHFFFAOYSA-N |
Boiling Point: | 116 °C / 8 mmHg |
Density: | 1.170 g/cm3 |
MDL: | MFCD00270118 |
LogP: | 3.14730 |
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 |
JP-2021102590-A | Hypoxanthine compound | 20191226 |
CN-110540526-A | Carane acidyl 1,2, 3-triazole compound and preparation method and application thereof | 20190809 |
US-2020095425-A1 | Fluorescent dye, preparation method therefor and use thereof | 20171221 |
WO-2019119331-A1 | Fluorescent dye, preparation method therefor and use thereof | 20171221 |
EP-3744810-A1 | Fluorescent dye, preparation method therefor and use thereof | 20171221 |
Complexity: | 87.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0113492 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0113492 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 25.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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