S-tert-Butyl chlorothioformate - CAS 13889-95-7
Catalog: |
BB008863 |
Product Name: |
S-tert-Butyl chlorothioformate |
CAS: |
13889-95-7 |
Synonyms: |
S-tert-butyl chloromethanethioate |
IUPAC Name: | S-tert-butyl chloromethanethioate |
Description: | S-tert-Butyl chlorothioformate (CAS# 13889-95-7 ) is a useful research chemical. |
Molecular Weight: | 152.64 |
Molecular Formula: | C5H9ClOS |
Canonical SMILES: | CC(C)(C)SC(=O)Cl |
InChI: | InChI=1S/C5H9ClOS/c1-5(2,3)8-4(6)7/h1-3H3 |
InChI Key: | IFVLGABUISIOQQ-UHFFFAOYSA-N |
Boiling Point: | 32 ℃ / 5 mmHg |
Density: | 0.967 g/mL at 25 ℃ |
LogP: | 2.87690 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3390401-A1 | Hetero-1,5,6,7-tetrahydro-4h-indol-4-ones | 20151216 |
US-2020216439-A1 | Hetero-1,5,6,7-tetrahydro-4h-indol-4-ones | 20151216 |
WO-2017102649-A1 | Hetero-1,5,6,7-tetrahydro-4h-indol-4-ones | 20151216 |
CA-2961833-A1 | Herbicidal pyridino-/pyrimidino-thiazoles | 20140924 |
EP-3197276-A1 | Herbicidal pyridino-/pyrimidino-thiazoles | 20140924 |
Complexity: | 95.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.0062638 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.0062638 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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