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CAS 1533519-84-4
PharmaCompass
CAS 1533519-84-4
Also known as: 4-(4-cyclopropylnaphthalen-1-yl)-1h-1,2,4-triazole-5(4h)-thione, 1533519-84-4, Ak200810, 4-(4-cyclopropylnaphthalen-1-yl)-4h-1,2,4-triazole-3-thiol, Schembl5524129, Molport-039-332-777
Molecular Formula
C15H13N3S
Molecular Weight
267.35  g/mol
InChI Key
UFYFJMMSOUURSF-UHFFFAOYSA-N

1 2D Structure

CAS 1533519-84-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
2.1.2 InChI
InChI=1S/C15H13N3S/c19-15-17-16-9-18(15)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-10H,5-6H2,(H,17,19)
2.1.3 InChI Key
UFYFJMMSOUURSF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC1C2=CC=C(C3=CC=CC=C23)N4C=NNC4=S
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4-(4-cyclopropylnaphthalen-1-yl)-1h-1,2,4-triazole-5(4h)-thione

2. 1533519-84-4

3. Ak200810

4. 4-(4-cyclopropylnaphthalen-1-yl)-4h-1,2,4-triazole-3-thiol

5. Schembl5524129

6. Molport-039-332-777

7. Cs-m3242

8. Mfcd28404707

9. Akos027250576

10. Zinc145819960

11. Gs-6391

12. 4-(4-cyclopropylnaphthalen-1-yl)-4,5-dihydro-1h-1,2,4-triazole-5-thione

2.3 Create Date
2012-12-01
3 Chemical and Physical Properties
Molecular Weight 267.35 g/mol
Molecular Formula C15H13N3S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass267.083 g/mol
Monoisotopic Mass267.083 g/mol
Topological Polar Surface Area59.7 A^2
Heavy Atom Count19
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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