2-(Isopropylthio)aniline - CAS 6397-33-7
Catalog: |
BB032337 |
Product Name: |
2-(Isopropylthio)aniline |
CAS: |
6397-33-7 |
Synonyms: |
2-(propan-2-ylthio)aniline; 2-propan-2-ylsulfanylaniline |
IUPAC Name: | 2-propan-2-ylsulfanylaniline |
Description: | 2-(Isopropylthio)aniline (CAS# 6397-33-7) is a useful research chemical. |
Molecular Weight: | 167.27 |
Molecular Formula: | C9H13NS |
Canonical SMILES: | CC(C)SC1=CC=CC=C1N |
InChI: | InChI=1S/C9H13NS/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,10H2,1-2H3 |
InChI Key: | BZPPEJDGWPFYAL-UHFFFAOYSA-N |
Boiling Point: | 261.275 ℃ at 760 mmHg |
Density: | 1.063 g/cm3 |
LogP: | 3.35050 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021057867-A1 | Class of cdk inhibitor based on organic arsine, preparation method and application thereof | 20190927 |
WO-2019149128-A1 | 5-chloro-2,4-pyrimidine derivative used as anti-tumor drug | 20180131 |
US-2020039935-A1 | Chemical Process for Preparing Pyrimidine Derivatives and Intermediates Thereof | 20170901 |
KR-102086057-B1 | Organic chromium compound, catalyst system for oligomerization of olefins or polymerization of ehylene, and method for preparing olefin oligomer or polyehylene using the catalyst system | 20151215 |
KR-20170071355-A | Organic chromium compound, catalyst system for oligomerization of olefins or polymerization of ehylene, and method for preparing olefin oligomer or polyehylene using the catalyst system | 20151215 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.07687059 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.07687059 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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