| CAS Number | 473706-97-7 |
| Catalog Number | AG00DBD4(AGN-PC-0WO1GG) |
| Chemical Name | [(1-ethylpyrrolidin-2-yl)methyl]thiourea |
| IUPAC Name | (1-ethylpyrrolidin-2-yl)methylthiourea |
| InChI | InChI=1S/C8H17N3S/c1-2-11-5-3-4-7(11)6-10-8(9)12/h7H,2-6H2,1H3,(H3,9,10,12) |
| InChI Key | PDKRKOVFEONVAU-UHFFFAOYSA-N |
| MDL Number | MFCD08445102 |
| Molecular Formula | C8H17N3S |
| Molecular Weight | 187.3057 |
| SMILES | S=C(N)NCC1N(CC)CCC1 |
| Synonyms | [(1-ethylpyrrolidin-2-yl)methyl]thiourea,
473706-97-7,
N-[(1-ETHYLPYRROLIDIN-2-YL)METHYL]THIOUREA,
1-((1-Ethylpyrrolidin-2-yl)methyl)thiourea,
AC1Q315E,
SCHEMBL4534327,
CTK6F0063,
AKOS009113765,
NE30340,
EN300-65518,
J-502672,
N-[(1-ethyl-2-pyrrolidinyl)methyl]Thiourea,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.305g/mol |
| Monoisotopic Mass | 187.114g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number