Basic information
- CAS
20291-61-6- Standard SMILES
CCCCCCCSC- InChIKey
FJDWJOQOEZRIDJ-UHFFFAOYSA-N- Molecular formula
- C8H18S
- Average molar mass
- 146.3 g/mol
- Monoisotopic mass
- 146.11292175
Names & identifiers
- Preferred name
- Heptyl methyl sulfide
- IUPAC
- 1-methylsulfanylheptane
- English name
- Methylheptan-1-thiol
- Molecular formula
- C8H18S
- Molecular weight
- 146.29
Names & synonyms
Heptyl methyl sulfide20291-61-6Methyl heptyl sulfideW6Y753210IRefChem:783743653-175-6n-Heptyl methyl sulfide1-methylsulfanylheptaneHEPTANETHIOL, METHYL-1-(Methylsulfanyl)heptaneSulfide, heptyl methylHeptane, 1-(methylthio)-
Show more names
Methylheptan-1-thiol1-(methylthio)heptane
MFCD00027314heptyl(methyl)sulfaneMethyl heptanethiolMethylheptane-1-thiolEINECS 264-506-52-ThianonaneUNII-W6Y753210I2-heptyl-methylsulfide
Database identifiers
- CAS
20291-61-6、63834-87-7- PubChem CID
- 44824
- DTXSID
DTXSID70213286- UNII
- W6Y753210I
- EC Number
- 264-506-5、653-175-6
- Nikkaji
- J103.161I
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 43.8
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Chemistry & industry
Suppliers26 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…