| CAS Number | 862483-52-1 |
| Catalog Number | AG004JRM(AGN-PC-00MJZI) |
| Chemical Name | cycloheptylthiourea |
| IUPAC Name | cycloheptylthiourea |
| InChI | InChI=1S/C8H16N2S/c9-8(11)10-7-5-3-1-2-4-6-7/h7H,1-6H2,(H3,9,10,11) |
| InChI Key | WBNUBZZHHXFAGK-UHFFFAOYSA-N |
| MDL Number | MFCD08277608 |
| Molecular Formula | C8H16N2S |
| Molecular Weight | 172.2910 |
| SMILES | NC(NC1CCCCCC1)=S |
| Synonyms | cycloheptylthiourea,
N-cycloheptylThiourea,
Cycloheptyl-thiourea,
862483-52-1,
Thiourea,N-cycloheptyl-,
1-cycloheptylthiourea,
SCHEMBL1605352,
SCHEMBL8345551,
CTK5F6403,
DTXSID40540652,
WBNUBZZHHXFAGK-UHFFFAOYSA-N,
KS-00001P5B,
MFCD08277608,
ZINC12357053,
AKOS005254776,
GL-0761,
MCULE-1359160421,
NE26593,
DA-02437,
FT-0769283,
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| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.29g/mol |
| Monoisotopic Mass | 172.103g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number