3-Dodecylthiophene-2-D - CAS 2122800-12-6
Catalog: |
BB016714 |
Product Name: |
3-Dodecylthiophene-2-D |
CAS: |
2122800-12-6 |
Synonyms: |
3-dodecylthiophene; 3-dodecylthiophene |
IUPAC Name: | 2-deuterio-3-dodecylthiophene |
Description: | 3-Dodecylthiophene-2-D (CAS# 2122800-12-6 ) is a useful research chemical. |
Molecular Weight: | 253.46 |
Molecular Formula: | C16H27SD |
Canonical SMILES: | CCCCCCCCCCCCC1=CSC=C1 |
InChI: | InChI=1S/C16H28S/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16/h13-15H,2-12H2,1H3 |
InChI Key: | RFKWIEFTBMACPZ-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.19117207 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.19117207 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 28.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.2 |
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