Basic information
- CAS
16260-48-3- Standard SMILES
OCCSCCCSCCO- InChIKey
JIJWGPUMOGBVMQ-UHFFFAOYSA-N- Molecular formula
- C7H16O2S2
- Average molar mass
- 196.3 g/mol
- Monoisotopic mass
- 196.05917175
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,3-Bis(2-hydroxyethylthio)propane
- IUPAC
- 2-[3-(2-hydroxyethylsulfanyl)propylsulfanyl]ethanol
- English name
- 3,7-Dithia-1,9-nonanediol
- Molecular formula
- C7H16O2S2
- Molecular weight
- 196.33
Names & synonyms
16260-48-31,3-Bis(2-hydroxyethylthio)propaneDTXSID90327379RefChem:72497DTXCID302784923,7-Dithia-1,9-nonanediol2,2'-(Propane-1,3-diylbis(sulfanediyl))diethanolEthanol, 2,2'-[1,3-propanediylbis(thio)]bis-2-[3-(2-hydroxyethylsulfanyl)propylsulfanyl]ethanolMFCD010985242-({3-[(2-HYDROXYETHYL)SULFANYL]PROPYL}SULFANYL)ETHANOLNSC650634
Show more names
3,7-Dithia-1,9-nonanediol>2,2'-(TRIMETHYLENEDITHIO)DIETHANOL2,2'-(Propane-1,3-diylbis(sulfanediyl)1,3-Bis(2-hydroxyethylthio)propane 2,2'-(Trimethylenedithio)diethanol
2-((3-[(2-Hydroxyethyl)sulfanyl]propyl)sulfanyl)ethanol2-[3-(2-hydroxyethylthio)propylthio]ethan-1-ol2-({3-[(2-hydroxyethyl)sulfanyl]propyl}sulfanyl)ethan-1-olSCHEMBL2423730CHEMBL19849112,2'-(Trimethylenedithio)diethanolSBB056734AKOS006229383
Database identifiers
- CAS
16260-48-3
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 63.5
Physicochemical properties
- refractive index
- 1.548 · 1.5480-1.5510
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid to slightly cloudy liquid
- color
- Colorless to Light orange to Yellow
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 227 · H227-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2930.9 · 2930.90.9250
Safety & regulation
Safety data
- hs_code
- 2930.90.9250
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H227-H315-H318-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers28 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.
Related reactions
1 records
Compound notes
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