CC1(C2CCC(C1C2)CS)C
CAS: 6588-78-9
Name: (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanethiol
SMILES: CC1(C2CCC(C1C2)CS)C

Molecular Processing

Molecular formula
C10H18S
Molecular weight
170.32
Exact mass
170.1129
XLogP
2.99
TPSA
0
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
1
Molar refractivity
51.96

Supplementary Information

InChIKey: KJBPNJMAGDDRRN-UHFFFAOYSA-N
Synonyme
10-Mercaptopinane10-PinanethiolUNII-79T12O1XFD79T12O1XFD6,6-dimethylbicyclo[3.1.1]heptane-2-methanethiolBicyclo[3.1.1]heptane-2-methanethiol, 6,6-dimethyl-EINECS 229-520-86,6-Dimethylbicyclo(3.1.1)heptane-2-methanethiolBicyclo(3.1.1)heptane-2-methanethiol, 6,6-dimethyl-DTXSID80884320FEMA NO. 3503, 10-MERCAPTO-RefChem:77559(+-)-10-MERCAPTOPINANEDTXCID60102377010-MERCAPTOPINANE, (+-)KJBPNJMAGDDRRN-UHFFFAOYSA-N6588-78-9{6,6-DIMETHYLBICYCLO[3.1.1]HEPTAN-2-YL}METHANETHIOL(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanethiol(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)methanethiolpinane-10-thiolSCHEMBL4234069(+/-)-10-MERCAPTOPINANE10-MERCAPTOPINANE, (+/-)-NS00046947EN300-1810135Q27266773(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methanethiol #
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