Basic information
- CAS
1185040-73-6- Standard SMILES
N#CCCSC[13c]1cs[13c](N=[13C](N)N)n1- InChIKey
FSKYYRZENXOYAP-TTXLGWKISA-N- Molecular formula
- C8H11N5S2
- Average molar mass
- 244.3 g/mol
- Monoisotopic mass
- 244.05565223
Names & identifiers
- Preferred name
- 3-[[[2-[(Diaminomethylene]amino-4-thiazolyl]thio]propionitrile-13C3
- IUPAC
- 2-[4-(2-cyanoethylsulfanylmethyl)-(2,4-13C2)1,3-thiazol-2-yl](13C)guanidine
- English name
- 3-[2-[(Diaminomethylene)amino-4-thiazolyl]thio]propionitrile-13C3
- Molecular formula
- C7H9N5S2
- Molecular weight
- 230.34
Names & synonyms
1185040-73-63-[[[2-[(Diaminomethylene]amino-4-thiazolyl]thio]propionitrile-13C32-[4-(2-cyanoethylsulfanylmethyl)-(2,4-13C2)1,3-thiazol-2-yl](13C)guanidineDTXSID306619013-[[[2-[Diaminomethylene]amino-4-thiazolyl]thio]propionitrile-13C3; [4-[[(2-Cyanoethyl)thio]methyl]-2-thiazolyl]guanidine-13C3N''-[4-{[(2-Cyanoethyl)sulfanyl]methyl}(2,4-~13~C_2_)-1,3-thiazol-2-yl](~13~C)guanidine[4-[[(2-Cyanoethyl)thio]Methyl]-2-thiazolyl]guanidine-13C33-[2-[(Diaminomethylene)amino-4-thiazolyl]thio]propionitrile-13C3
Database identifiers
- CAS
1185040-73-6- PubChem CID
- 45038936
- DTXSID
DTXSID30661901
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- solubility
- Acetone, Chloroform, Dichloromethane, Methanol
- form
- Solid
- color
- White
Chemistry & industry
Applications
Uses3-[[[2-[(Diaminomethylene]amino-4-thiazolyl]thio]propionitrile-13C3 (cas# 1185040-73-6) is a compound useful in organic synthesis.
Suppliers4 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…