1,3,5-Triazinane-2,4,6-trithione

Name: 1,3,5-Triazinane-2,4,6-trithione
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

SDS

CAS No. 638-16-4
Cat. No. CS-W017359
Purity≥96%
MDL No.MFCD01103255

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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*For research and further manufacturing use only, not for direct human use.

1,3,5-Triazinane-2,4,6-trithione|CS-W017359

Structure of 638-16-4

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General Information

CAS No. 638-16-4
Cat. No. CS-W017359
Purity ≥96%
MDL No. MFCD01103255
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃H₃N₃S₃
Molecular Weight 177.27
Synonym(s) trithiocyanuricacid
SMILES S=C(NC(N1)=S)NC1=S

Description

1,3,5-Triazinane-2,4,6-trithione features a rigid triazine core functionalized with three thione groups, enabling strong coordination to metal ions. This structure supports applications in chelation chemistry and as a building block for metallomacrocycles. The compound exhibits stability under standard conditions and facilitates efficient complexation in synthetic workflows.

Application

1,3,5-Triazinane-2,4,6-trithione serves as a versatile scaffold for constructing sulfur-rich heterocycles and functions as a building block in the synthesis of thioether-linked macrocycles. Its three reactive thiocarbonyl groups enable sequential functionalization under mild conditions, offering high tolerance to common protecting groups and facilitating purification via crystallization. The compound exhibits excellent bench stability and is compatible with standard coupling protocols, making it valuable for iterative synthetic approaches in medicinal chemistry and materials science.

Synthesis

Route1
- 108-77-0
- ~87%
- In-stock
  
  638-16-4
References
- Petukhova, N. P.; Sergeeva, V. P.; Prilezhaeva, E. N. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1986 , vol. 35, # 6 p. 1301 - 1303 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1986 , # 6 p. 1432 - 1434
Route2
- 30248-54-5
- ~28%
- In-stock
  
  638-16-4
References
- Rybin, A. G.; Zil'berman, E. N.; Etlis, I. V.; Chervyakova, G. N. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1986 , vol. 22, # 9 p. 1009 - 1010 Khimiya Geterotsiklicheskikh Soedinenii, 1986 , vol. 22, # 9 p. 1246 - 1247

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P301+P310-P330-P501

Quality Control

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SDS
COA

Computational Chemistry Data

TPSA 47.37
LogP 1.85937
H_Acceptors 3
H_Donors 3
Rotatable_Bonds 0

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