Phenyl propargyl sulfide - CAS 5651-88-7
Catalog: |
BB029385 |
Product Name: |
Phenyl propargyl sulfide |
CAS: |
5651-88-7 |
Synonyms: |
prop-2-ynylsulfanylbenzene |
IUPAC Name: | prop-2-ynylsulfanylbenzene |
Description: | Phenyl propargyl sulfide (CAS# 5651-88-7) is a useful research chemical. |
Molecular Weight: | 148.22 |
Molecular Formula: | C9H8S |
Canonical SMILES: | C#CCSC1=CC=CC=C1 |
InChI: | InChI=1S/C9H8S/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7H,8H2 |
InChI Key: | HXKVNRKJSSHQQY-UHFFFAOYSA-N |
Boiling Point: | 213.4 ℃ at 760 mmHg |
Density: | 1.077 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00026051 |
LogP: | 2.41190 |
GHS Hazard Statement: | H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] |
Precautionary Statement: | P261, P271, P280, P302+P352, P304+P312, P304+P340, P312, P322, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021107872-A1 | Composites, methods and uses thereof | 20191126 |
CN-107188837-A | A kind of synthetic method of α acyl groups high allyl thio-ether type compounds | 20170606 |
CN-107188837-B | A kind of synthetic method of α-acyl group high allyl thio-ether type compounds | 20170606 |
AU-2017270485-A1 | Triazoles for regulating intracellular calcium homeostasis | 20160524 |
CA-3025436-A1 | Triazoles for regulating intracellular calcium homeostasis | 20160524 |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.03467143 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.03467143 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 25.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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