(Thiomorpholin-3-yl)methanol - CAS 58729-32-1
Catalog: |
BB072595 |
Product Name: |
(Thiomorpholin-3-yl)methanol |
CAS: |
58729-32-1 |
Synonyms: |
thiomorpholin-3-ylmethanol; (Thiomorpholin-3-yl)methanol |
IUPAC Name: | thiomorpholin-3-ylmethanol |
Description: | (Thiomorpholin-3-yl)methanol is used in the preparation of heterocyclic compounds as modulators of Hb. |
Molecular Weight: | 133.21 |
Molecular Formula: | C5H11NOS |
Canonical SMILES: | C1CSCC(N1)CO |
InChI: | InChI=1S/C5H11NOS/c7-3-5-4-8-2-1-6-5/h5-7H,1-4H2 |
InChI Key: | MXFNPNPWOIRFCE-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 69.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 133.05613515 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.05613515 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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