Cas no 4753-80-4 (Thiepan)

Thiepan structure
Thiepan structure
Product Name:Thiepan
CAS No:4753-80-4
MF:C6H12S
MW:116.224480628967
CID:331842
PubChem ID:78493
Update Time:2025-04-19

Thiepan Chemical and Physical Properties

Names and Identifiers

    • Thiepane
    • Thiepan
    • 1-thiacycloheptane
    • Hexahydrothiepin
    • Hexamethylene sulfide
    • perhydrothiepine
    • Thiacycloheptane
    • Thiepin, hexahydro-
    • NS00031701
    • Q180508
    • JWCVYQRPINPYQJ-UHFFFAOYSA-N
    • 0P85C3FTE3
    • UNII-0P85C3FTE3
    • AKOS006281268
    • InChI=1/C6H12S/c1-2-4-6-7-5-3-1/h1-6H
    • 4753-80-4
    • SCHEMBL67261
    • DTXSID80197189
    • EINECS 225-279-8
    • FT-0635429
    • DB-051458
    • DTXCID40119680
    • Inchi: 1S/C6H12S/c1-2-4-6-7-5-3-1/h1-6H2
    • InChI Key: JWCVYQRPINPYQJ-UHFFFAOYSA-N
    • SMILES: S1CCCCCC1

Computed Properties

  • Exact Mass: 116.06600
  • Monoisotopic Mass: 116.066
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 37.4
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 25.3A^2
  • XLogP3: 2.1

Experimental Properties

  • Density: 0.766
  • Melting Point: 173-174°C
  • Boiling Point: 85°C
  • Flash Point: 51.7°C
  • Refractive Index: 1.5044
  • Stability/Shelf Life: Ether, Ethyl Acetate, Hexane
  • PSA: 25.30000
  • LogP: 2.29360

Thiepan Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
T346000-10mg
Thiepan
4753-80-4
10mg
$ 98.00 2023-09-05
TRC
T346000-25mg
Thiepan
4753-80-4
25mg
$ 138.00 2023-09-05
TRC
T346000-50mg
Thiepan
4753-80-4
50mg
$ 247.00 2023-09-05
TRC
T346000-100mg
Thiepan
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100mg
$465.00 2023-05-17
TRC
T346000-250mg
Thiepan
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250mg
$1068.00 2023-05-17
SHENG KE LU SI SHENG WU JI SHU
sc-220234-25mg
Thiepan,
4753-80-4
25mg
¥2256.00 2023-09-05
SHENG KE LU SI SHENG WU JI SHU
sc-220234-25 mg
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4753-80-4
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¥2,256.00 2023-07-11

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