| CAS Number | 6950-55-6 |
| Catalog Number | AG005L5V(AGN-PC-0JOKLZ) |
| Chemical Name | [2-(methylsulfanyl)ethyl]urea |
| IUPAC Name | 2-methylsulfanylethylurea |
| InChI | InChI=1S/C4H10N2OS/c1-8-3-2-6-4(5)7/h2-3H2,1H3,(H3,5,6,7) |
| InChI Key | PBNSGRJZNANHFU-UHFFFAOYSA-N |
| MDL Number | MFCD19596550 |
| Molecular Formula | C4H10N2OS |
| Molecular Weight | 134.2000 |
| NSC Number | 65769 |
| SMILES | CSCCNC(N)=O |
| Synonyms | 1-[2-(methylsulfanyl)ethyl]urea,
6950-55-6,
[2-(methylsulfanyl)ethyl]urea,
2-methylsulfanylethylurea,
NSC65769,
2-methylthio ethylurea,
AC1L6MKE,
AC1Q5JHD,
SCHEMBL6185829,
CTK5D0204,
DTXSID60289950,
PBNSGRJZNANHFU-UHFFFAOYSA-N,
ZINC1693039,
NSC-65769,
AKOS009095861,
KST-1B8909,
AR-1B9038,
CID248540,
85539-83-9,
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| Complexity | 76.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.197g/mol |
| Monoisotopic Mass | 134.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number