Basic information
- CAS
629-65-2- Standard SMILES
CCCCCCCSCCCCCCC- InChIKey
LEMIDOZYVQXGLI-UHFFFAOYSA-N- Molecular formula
- C14H30S
- Average molar mass
- 230.46 g/mol
- Monoisotopic mass
- 230.20682213
Names & identifiers
- Preferred name
- Heptane, 1,1'-thiobis-
- IUPAC
- 1-heptylsulfanylheptane
- English name
- HEPTYL SULFIDE
- Molecular formula
- C14H30S
- Molecular weight
- 230.45
Names & synonyms
Diheptyl sulfideHeptane, 1,1'-thiobis-Diheptyl sulphideEINECS 211-101-6AI3-18867DTXSID3060879Heptane, 1,1'thiobisRefChem:783652DTXCID2043581211-101-6Heptyl sulfide629-65-2
Show more names
n-HeptylHeptylSulfide>diheptyl sulphide8-Thiapentadecane1,1’-thiobis-heptan
n-Heptyl sulfide1-heptylsulfanylheptane1-(Heptylsulfanyl)heptanediheptylsulfaneHEPTYLSULFIDEMFCD00027315heptylthioheptanedi-n-Heptyl sulfide
Database identifiers
- CAS
629-65-2- PubChem CID
- 69422
- DTXSID
DTXSID3060879- UNII
- G6CCC2QR5A
- EC Number
- 211-101-6
- Nikkaji
- J97.165K
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 89.5
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesExcess enthalpy
Physical DescriptionLiquid with a stench; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -11 °C · -11 °C
- Boiling point
- 298 °C · 298 °C
- Density
- 0.84 · 0.84
- refractive index
- 1.458 to · 1.4580 to 1.4620
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 0.84 · 0.84
- Henry's Law Constant
- 2.6 · 2.6×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
- LogP
- 7.091 · 7.091 (est)
- CAS DataBase Reference
- 629 · 629-65-2(CAS DataBase Reference)
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Di-n-octyl sulfide and Diethyl sulfide.
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2930.90.9250
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHeptane, 1,1'-thiobis-: INACTIVE
Suppliers61 total
三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
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]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [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]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
广东方信生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…