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Home > Other Heterocycles > 402914-79-8
402914-79-8 | Bicyclo[4.1.0]heptane-3-thiol, 3,7,7-trimethyl-, (1S,3S,6R)-
CAS No: 402914-79-8 Catalog No: AG0073Q1 MDL No:
Product Description
Catalog Number:
AG0073Q1
Chemical Name:
Bicyclo[4.1.0]heptane-3-thiol, 3,7,7-trimethyl-, (1S,3S,6R)-
CAS Number:
402914-79-8
Molecular Formula:
C10H18S
Molecular Weight:
170.3149
IUPAC Name:
(1S,3S,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane-3-thiol
InChI:
InChI=1S/C10H18S/c1-9(2)7-4-5-10(3,11)6-8(7)9/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
InChI Key:
VQPFDIQDJINXDY-WEDXCCLWSA-N
SMILES:
C[C@]1(S)CC[C@@H]2[C@H](C1)C2(C)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
170.113g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.314g/mol
Monoisotopic Mass:
170.113g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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