2,5-Dimethylbenzenethiol - CAS 4001-61-0
Catalog: |
BB024256 |
Product Name: |
2,5-Dimethylbenzenethiol |
CAS: |
4001-61-0 |
Synonyms: |
2,5-dimethylbenzenethiol |
IUPAC Name: | 2,5-dimethylbenzenethiol |
Description: | 2,5-Dimethylbenzenethiol (CAS# 4001-61-0) is a useful research chemical. |
Molecular Weight: | 138.23 |
Molecular Formula: | C8H10S |
Canonical SMILES: | CC1=CC(=C(C=C1)C)S |
InChI: | InChI=1S/C8H10S/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3 |
InChI Key: | NHAUBUMQRJWWAT-UHFFFAOYSA-N |
Boiling Point: | 126.3 °C (50 mmHg) |
Purity: | 98 % |
Density: | 1.02 g/cm3 |
Appearance: | Clear light yellow liquid |
MDL: | MFCD00010020 |
LogP: | 2.59210 |
GHS Hazard Statement: | H302 (13.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 90.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.05032149 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.05032149 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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