3-(Dimethoxymethylsilyl)propanethiol

C₆H₁₆O₂SSiCAS 31001-77-1180.34 g/mol

Open in Covalent MOL file

Silyl ether Thiol

Properties

Molecular formula: C₆H₁₆O₂SSi
Molar mass: 180.34 g/mol
Exact mass: 180.0640 Da
Density: 1 g/mL
Boiling point: 96 °C (at 30 Torr)
logP: 1.67Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed44.8% of notifiers
H315 Causes skin irritation54% of notifiers
H317 May cause an allergic skin reaction44.8% of notifiers
H319 Causes serious eye irritation54% of notifiers
H335 May cause respiratory irritation52.9% of notifiers
H411 Toxic to aquatic life with long lasting effects44.8% of notifiers

Aggregated from 87 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

31001-77-1

SMILES

CO[Si](C)(CCCS)OC

InChIKey

IKYAJDOSWUATPI-UHFFFAOYSA-N

InChI

InChI=1S/C6H16O2SSi/c1-7-10(3,8-2)6-4-5-9/h9H,4-6H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

18 names · show all

(3-Mercaptopropyl)methyldimethoxysilane
1-Propanethiol, 3-(dimethoxymethylsilyl)-
3-(Dimethoxymethylsilyl)-1-propanethiol
(γ-Mercaptopropyl)dimethoxymethylsilane
Dimethoxy(γ-mercaptopropyl)methylsilane
Dimethoxymethyl(3-mercaptopropyl)silane
(γ-Mercaptopropyl)methyldimethoxysilane
Methyl(3-mercaptopropyl)dimethoxysilane
KBM 802
(3-Mercaptopropyl)dimethoxymethylsilane
AY 43-062
Dimethoxy(3-mercaptopropyl)methylsilane
Dimethoxymercaptopropylmethylsilane
KBE 802
SiSiB PC 2320
KEM 802
KH 970
DB 591

Work with 3-(Dimethoxymethylsilyl)propanethiol

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-Mercaptopropyl)trimethoxysilane4420-74-060 % similar (3-Chloropropyl)dimethoxymethylsilane18171-19-256 % similar γ-Aminopropylmethyldimethoxysilane3663-44-356 % similar (3-Isocyanatopropyl)dimethoxymethylsilane26115-72-045 % similar N-(β-Aminoethyl)-γ-aminopropylmethyldimethoxysilane3069-29-245 % similar (3-(2,3-Epoxypropoxy)propyl)dimethoxymethylsilane65799-47-544 % similar Dimethoxymethyl(3,3,3-trifluoropropyl)silane358-67-843 % similar (3-Mercaptopropyl)triethoxysilane14814-09-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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