3-(Methylthio)-1-propanol

Details

• Internal ID: 4ccac6f0-2da3-45cd-a576-7a60c42c81a3
• Taxonomy: Organosulfur compounds > Thioethers > Dialkylthioethers
• IUPAC Name: 3-methylsulfanylpropan-1-ol
• InChI: InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
• InChI Key: CZUGFKJYCPYHHV-UHFFFAOYSA-N
• Popularity: 280 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₁₀OS
• Molecular Weight: 106.19 g/mol
• Exact Mass: 106.04523611 g/mol
• Topological Polar Surface Area (TPSA): 45.50 Ų
• XlogP: 0.50

Synonyms

• 505-10-2
• 3-(Methylthio)-1-propanol
• 1-Propanol, 3-(methylthio)-
• 3-(METHYLTHIO)PROPANOL
• 3-Hydroxypropyl methyl sulfide
• 3-Methylmercapto-1-propanol
• gamma-Methylmercaptopropyl alcohol
• FEMA No. 3415
• H1E1U441XX
• NSC-2859
• DTXSID7060128
• RefChem:811746
• DTXCID4040846
• 208-004-6
• 3-methylthiopropanol
• 3-(methylthio)propan-1-ol
• 3-(methylsulfanyl)propan-1-ol
• 3-Methylthio-1-propanol
• 3-methylsulfanylpropan-1-ol
• 3-(Methylsulfanyl)-1-propanol
• 3-Methyl thiopropaol
• 4-Thiapentan-1-ol
• 3-(Methylthio)propyl alcohol
• NSC 2859
• MFCD00036560
• Methyl 3-hydroxypropylsulfide
• methylmercaptopropanol
• gamma-Hydroxypropyl methyl sulfide
• .gamma.-Methylmercaptopropyl alcohol
• 3-Methylthiopropyl alcohol
• 3-(Methylsulfanyl)propanol
• 3-methylsulfanyl-1-propanol
• C4H10OS
• 3-methylsulfanyl-propan-1-ol
• 3-Methylmercaptopropyl Alcohol
• CHEBI:49019
• 3-Hydroxypropyl methyl sulfide; 3-Methylmercapto-1-propanol; 4-Thiapentan-1-ol
• UNII-H1E1U441XX
• EINECS 208-004-6
• 3-methylthiopropan-1-ol
• AI3-17420
• 3-(methylthio)propane-1-ol
• SCHEMBL101773
• SCHEMBL448480
• 3-(Methylmercapto)propan-1-ol
• CHEMBL332887
• SCHEMBL1051896
• SCHEMBL6189084
• SCHEMBL6889402
• Jsp006015
• SCHEMBL16236293
• FEMA 3415
• NSC2859
• 3-(Methylsulfanyl)-1-propanol #
• O,O-Diphenyl, methanedisulIfonate-
• 3-(Methylthio)-1-propanol, 98%
• SBB056451
• AKOS005255124
• 3-(Methylsulfanyl)propanol (methionol)
• 3-(METHYLTHIO)PROPANOL [FHFI]
• FM25962
• NE26216
• SB17653
• AS-59057
• Methionol; 3-(Methylmercapto)propan-1-ol
• 3-(Methylthio)-1-propanol, >=98%, FG
• AB1007234
• DB-003422
• CS-0015993
• M0735
• NS00022250
• laquo gammaRaquo -methylmercaptopropyl alcohol
• EN300-112112
• F069294
• Q11343729
• 3-Methylsulfanyl-propan-1-ol;3-Methylmercapto-propan-1-ol
• InChI=1/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.56%	96.09%
CHEMBL2885	P07451	Carbonic anhydrase III	89.72%	87.45%
CHEMBL2581	P07339	Cathepsin D	81.44%	98.95%
CHEMBL226	P30542	Adenosine A1 receptor	81.24%	95.93%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.03%	99.17%

Plants that contains it

• Vitis vinifera

Cross-Links

• PubChem: 10448
• NPASS: NPC261397
• LOTUS: LTS0133072
• wikiData: Q11343729