Thiane

HCID 15367
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1613-51-0
Standard SMILES
C1CCSCC1
InChIKey
YPWFISCTZQNZAU-UHFFFAOYSA-N
Molecular formula
C5H10S
Average molar mass
102.2 g/mol
Monoisotopic mass
102.05032149

Names & identifiers

Preferred name
Thiane
IUPAC
thiane
English name
Thiane
Molecular formula
C5H10S
Molecular weight
102.2

Names & synonyms

Thiane1613-51-0TetrahydrothiopyranPentamethylene sulfide2H-Thiopyran, tetrahydro-TETRAHYDRO-2H-THIOPYRANThiacyclohexanePenthiophaneTetrahydrothiapyran1413-51-0MFCD00006662P9BB3YF628
Show more names
PENTAMETHYLENE SULPHIDE2H-Thiopyran,tetrahydro-
NSC-9459pentamethylenesulfidethiantetrahydro-thiopyranEINECS 216-561-1Pentamethylene sulfaneSCHEMBL3431UNII-P9BB3YF628

Database identifiers

CAS
1613-51-0
PubChem CID
15367
DTXSID
DTXSID60167108
UNII
P9BB3YF628
EC Number
216-561-1
Nikkaji
J7.531K

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
25.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
6

Experimental & physicochemical properties

Vapor Pressure8.0 [mmHg]
Physical DescriptionColorless liquid with an unpleasant odor; [Alfa Aesar MSDS]
Kovats Retention Index · 2 items

880；850；842；842；880

860

Physicochemical properties

Melting point
18.99 °C · 18.99°C
Boiling point
140 · 140-142°C
Density
0 · 0,988 g/cm3
refractive index
1.506 · 1.5060
Flash point
21 °C · 21°C
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information2H-Thiopyran, tetrahydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Diethyl sulfide and Tetrahydrothiophene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Regulatory information

Regulatory Information2H-Thiopyran, tetrahydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Safety data

ridadr
1993
hs_code
2934.99.9001
risk_code
10
Signal word
Danger
Symbol(GHS)
GHS02
safety_code
16-23-24/25

Chemistry & industry

Applications

UsesIt is a useful 5 c synthon for the synthesis of 3-cyclopentenones. It is a organic sulfide, that has shown to have antioxidant activity.

Upstream & downstream products

Suppliers65 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

Loading…