2,2'-Diamino-4,4'-bithiazole

Catalog Number

ACM-MO-58139596

Product Name

2,2'-Diamino-4,4'-bithiazole

Structure

CAS

58139-59-6

Category

Heterocyclic Organic Compound

Synonyms

2,2'-Diamino-4,4'-bis(1,3-thiazole);
4,4'-Bithiazole-2,2'-diamine

IUPAC Name

4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-amine

Molecular Weight

198.26 g/mol

Molecular Formula

C6H6N4S2

Canonical SMILES

C1=C(N=C(S1)N)C2=CSC(=N2)N

InChI

MRFMTBTUKQIBDI-UHFFFAOYSA-N

InChI Key

InChI=1S/C6H6N4S2/c7-5-9-3(1-11-5)4-2-12-6(8)10-4/h1-2H,(H2,7,9)(H2,8,10)

Boiling Point

499.8±20.0 °C(Predicted)

Melting Point

250 °C (dec.)

Density

1.590±0.06 g/cm3(Predicted)

Appearance

White to Light Yellow to Light Orange Powder to Crystal

Storage

Store under inert gas

Complexity

150

Condition To Avoid

Air Sensitive

Covalently-Bonded Unit Count

1

Exact Mass

198.00338856

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

H-Bond Acceptor

6

H-Bond Donor

2

Heavy Atom Count

12

Hydrogen Bond Acceptor Count

6

Hydrogen Bond Donor Count

2

MDL Number

MFCD01740587

Monoisotopic Mass

198.00338856

Physical Description

No information available.;

Physical State

Solid

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Refractive Index

1.62

Rotatable Bond Count

1

Signal Word

Warning

SpecificGravity

1.16

Topological Polar Surface Area

134 Ų

MSDS

COA

Spec Sheet