4-Isopropyl-3,4,5,6,7,8-hexahydroquinazoline-2-thiol

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Basic information

CAS: 378760-14-6
Standard SMILES: CC(C)C1NC(=S)NC2=C1CCCC2
InChIKey: HEGPWLIGDINTCM-UHFFFAOYSA-N
Molecular formula: C11H18N2S
Average molar mass: 210.34 g/mol
Monoisotopic mass: 210.11906976

Names & identifiers

Preferred name: 4-Isopropyl-3,4,5,6,7,8-hexahydroquinazoline-2-thiol
IUPAC: 4-propan-2-yl-3,4,5,6,7,8-hexahydro-1H-quinazoline-2-thione

Names & synonyms

378760-14-64-ISOPROPYL-3,4,5,6,7,8-HEXAHYDROQUINAZOLINE-2-THIOLMFCD029323594-(propan-2-yl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione4-propan-2-yl-3,4,5,6,7,8-hexahydro-1H-quinazoline-2-thioneHMS1480L10ChemDiv3_002716DTXSID40387761CCG-19402STL036503AKOS000669984AKOS005647483

Show more names

AKOS022184593BS-37716DB-206134EU-0043424F315131BRD-A53813048-001-01-14-Isopropyl-3,4,5,6,7,8-hexahydro-2-quinazolinethiol4-ISOPROPYL-3,4,5,6,7,8-HEXAHYDRO-1H-QUINAZOLINE-2-THIONE

Database identifiers

CAS: 378760-14-6
PubChem CID: 2908982
DTXSID: DTXSID40387761

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 56.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 281

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Compound notes

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