1,3,5-Trithiane

HCID 9264CAS 291-21-4
Substructure searchFind similar structures

Basic information

Standard SMILES
C1SCSCS1
InChIKey
LORRLQMLLQLPSJ-UHFFFAOYSA-N
Molecular formula
C3H6S3
Average molar mass
138.3 g/mol
Monoisotopic mass
137.96316371

Names & identifiers

Preferred name
1,3,5-Trithiane
IUPAC
1,3,5-trithiane
English name
1,3,5-TRITHIANE
Molecular formula
C3H6S3
Molecular weight
138.27

Names & synonyms

1,3,5-TRITHIANE291-21-4s-TrithianeTrithioformaldehydeThioformTrimethylene trisulfide1,3,5-TrithiacyclohexaneTrimethylentrisulfidFormaldehyde, thio-, trimer4AM764YC6XNSC-1937DTXSID2059778
Show more names
(SYM) TRITHIANEs-Trithiane,97%1,3,5-Trithiane >TrimethylentrisulfidLABOTEST-BB LT00068606
CHEBI:39196RefChem:72363DTXCID60379301,3,5-TTCH206-029-7sym-TrithianThioform [Czech]sym-Trithiane

Database identifiers

CAS
291-21-4
PubChem CID
9264
DTXSID
DTXSID2059778
ChEBI
CHEBI:39196
UNII
4AM764YC6X
EC Number
206-029-7
Nikkaji
J2.570D

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
75.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
6

Experimental & physicochemical properties

Melting Point220 °C
Physical Description · 2 items

White solid with a strong offensive odor; [Alfa Aesar MSDS]

Solid

Kovats Retention Index · 2 items

1259；1271

1271

Physicochemical properties

Melting point
215 · 215-220 °C (dec.)(lit.)
Boiling point
376.28 °C · 376.28°C (estimate)
Density
1.637 · 1.637
refractive index
1.7 · 1.7000 (estimate)
storage temp.
-20 °C · -20°C Freezer, Under inert atmosphere
solubility
Chloroform (Very Slightly, Heated), DMSO (Very Slightly, Heated)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 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 Information1,3,5-Trithiane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA mild skin and eye irritant; Intraperitoneal LD50 (mouse) = 250 mg/kg; [RTECS] A mild skin irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesEye Irrit. 2 (95.1%)

Regulatory information

Regulatory Information1,3,5-Trithiane: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
rtecs
YL8225000
hs_code
2930.90.9250
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm；Extracellular

Uses & manufacturing

General Manufacturing Information1,3,5-Trithiane: INACTIVE

Applications

Uses1,3,5-Trithiane is an precursor to organosulfur reagents.

Suppliers50 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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Additional notes

DefinitionChEBI: 1,3,5-trithiane is a trithiane.

Related reactions

5 records
New reaction record

Linked notes

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