3-(Methylthio)-1-hexanol

C₇H₁₆OSCAS 51755-66-9148.26 g/mol

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Alcohol Sulfide

Properties

Molecular formula: C₇H₁₆OS
Molar mass: 148.26 g/mol
Exact mass: 148.0922 Da
logP: 1.90Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation91.1% of notifiers
H319 Causes serious eye irritation91.3% of notifiers
H335 May cause respiratory irritation98.1% of notifiers

Aggregated from 1,475 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

51755-66-9

SMILES

CCCC(CCO)SC

InChIKey

JSASXSHMJYRPCM-UHFFFAOYSA-N

InChI

InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3

Weigh it out

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Names and synonyms

3 names

1-Hexanol, 3-(methylthio)-
3-(Methylthio)hexanol
3-Methylsulfanylhexan-1-ol

Work with 3-(Methylthio)-1-hexanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methylthiohexanal38433-74-848 % similar 3-Mercaptohexanol51755-83-045 % similar 3-(Methylthio)hexyl acetate51755-85-244 % similar Propan-1-ol71-23-843 % similar 2-Cyclopropylethanol2566-44-142 % similar Zirconium n-propoxide23519-77-938 % similar Titanium tetrapropoxide3087-37-438 % similar 1-Butanol71-36-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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