(Adamantan-2-ylamino)(butylamino)methane-1-thione

HCID 3973229

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Basic information

CAS: 87170-66-9
Standard SMILES: CCCCNC(=S)NC1C2CC3CC(C2)CC1C3
InChIKey: CNPDKAPHYUPYGX-UHFFFAOYSA-N
Molecular formula: C15H26N2S
Average molar mass: 266.4 g/mol
Monoisotopic mass: 266.18167001

Names & identifiers

Preferred name: (Adamantan-2-ylamino)(butylamino)methane-1-thione
IUPAC: 1-(2-adamantyl)-3-butylthiourea

Names & synonyms

87170-66-9ST50833827NSC314012DTXSID00398318STK473006AKOS003333869N-(Adamantan-2-yl)-N'-butylthioureaNSC-314012(adamantan-2-ylamino)(butylamino)methane-1-thione1-butyl-3-tricyclo[3.3.1.1~3,7~]dec-2-ylthiourea

Database identifiers

CAS: 87170-66-9
PubChem CID: 3973229
DTXSID: DTXSID00398318

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 56.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 288

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