Bicyclo[2.2.1]heptane-2-thiol,1,7,7-trimethyl- 5391-78-6

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1 Gram	Negotiable

1 Gram

Negotiable

Min.Order :1 Gram
Purity: 99%
Payment Terms : L/C,T/T,

Keywords

Bicyclo[2.2.1]heptane-2-thiol,1,7,7-trimethyl- 5391-78-6 C10H18 S

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Details:

【Name】
Bicyclo[2.2.1]heptane-2-thiol,1,7,7-trimethyl-
【CAS Registry number】
5391-78-6
【Synonyms】
2-Bornanethiol(6CI,8CI)
1,7,7-Trimethylbicyclo[2.2.1]heptane-2-thiol
NSC 3209
【Molecular Formula】
C10H18 S (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C10H18S/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
【Canonical SMILES】
CC1(C2CCC1(C(C2)S)C)C
【MOL File】
5391-78-6.mol
Chemical and Physical Properties
【Density】
0.98g/cm3
【Boiling Point】
205.9°Cat760mmHg
【Refractive Index】
1.514
【Flash Point】
68.6°C
【Computed Properties】
Molecular Weight:170.31492 [g/mol]
Molecular Formula:C10H18S
XLogP3:3.7
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:170.112921
MonoIsotopic Mass:170.112921
Topological Polar Surface Area:1
Heavy Atom Count:11
Formal Charge:0
Complexity:185
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

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