(1-ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate

[1-azaniumylpropan-2-yl(propan-2-yl)azaniumyl]methanethioate

CAS: 101491-48-9

Molecular Formula	`C7H17N2OS+`
Molecular Weight	177.29 g/mol
LogP	0.6
Topological Polar Surface Area	50.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	3
Exact Mass	177.10616
Heavy Atoms	11
Complexity	138.0

Chemical Identifiers

CAS Number	101491-48-9
SMILES	`CC(C)[NH+](C(C)C[NH3+])C(=O)[S-]`
InChIKey	`PHDOQTWAQRIFTI-UHFFFAOYSA-O`

📖 Product Overview

(1-ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate (CAS: 101491-48-9) is a chemical compound with molecular formula C7H17N2OS+ and molecular weight 177.29 g/mol. Its IUPAC systematic name is [1-azaniumylpropan-2-yl(propan-2-yl)azaniumyl]methanethioate. LogP 0.6 Topological Polar Surface Area 50.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2 Rotatable Bonds 3 Exact Mass 177.10616 Heavy Atoms 11 Complexity 138.0 InChI Key: PHDOQTWAQRIFTI-UHFFFAOYSA-O. SMILES: CC(C)[NH+](C(C)C[NH3+])C(=O)[S-].

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