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10265-95-9

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Basic Information
CAS No.: 10265-95-9
Name: S-methyl O-propan-2-yl phosphoramidothioate
Molecular Structure:
Molecular Structure of 10265-95-9 (S-methyl O-propan-2-yl phosphoramidothioate)
Formula: C4H12NO2PS
Molecular Weight: 169.185
Synonyms: Isopropylmethyl phosphoramidothioate (7CI);Phosphoramidothioic acid, O-isopropylS-methyl ester (8CI);NSC 133013;S-methyl O-propan-2-yl phosphoramidothioate;
Density: 1.182 g/cm3
Boiling Point: 236.1 °C at 760 mmHg
Flash Point: 96.6 °C
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Specification

The Phosphoramidothioicacid, S-methyl O-(1-methylethyl) ester, with the CAS registry number 10265-95-9, is also known as S-methyl O-propan-2-yl phosphoramidothioate. This chemical's molecular formula is C4H12NO2PS and molecular weight is 169.1823. What's more, its systematic name is S-methyl O-propan-2-yl phosphoramidothioate.

Physical properties about Phosphoramidothioicacid, S-methyl O-(1-methylethyl) ester are: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.56; (8)ACD/KOC (pH 7.4): 25.56; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.65 Å2; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 40.69 cm3; (15)Molar Volume: 143 cm3; (16)Polarizability: 16.13×10-24 cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.182 g/cm3; (19)Flash Point: 96.6 °C; (20)Enthalpy of Vaporization: 47.29 kJ/mol; (21)Boiling Point: 236.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0483 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(OC(C)C)(SC)N
(2) InChI: InChI=1/C4H12NO2PS/c1-4(2)7-8(5,6)9-3/h4H,1-3H3,(H2,5,6)
(3) InChIKey: ZQCPGYWIDZZZDV-UHFFFAOYAB